Add all remaining point groups

3 files changed, 484 insertions, 51 deletions

diff --git a/src/symmetry.c b/src/symmetry.c
index 6c290756..2d70edb1 100644
--- a/src/symmetry.c
+++ b/src/symmetry.c
@@ -336,8 +336,8 @@ static SymOpList *make_1()
 static SymOpList *make_2m()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 */
-	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
+	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m -| k */
 	new->name = strdup("2/m");
 	return expand_ops(new);
 }
@@ -346,7 +346,7 @@ static SymOpList *make_2m()
 static SymOpList *make_2()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
 	new->name = strdup("2");
 	return expand_ops(new);
 }
@@ -355,7 +355,7 @@ static SymOpList *make_2()
 static SymOpList *make_m()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m */
+	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m -| k */
 	new->name = strdup("m");
 	return expand_ops(new);
 }
@@ -366,9 +366,9 @@ static SymOpList *make_m()
 static SymOpList *make_mmm()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 */
-	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 */
-	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
+	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m -| k */
 	new->name = strdup("mmm");
 	return expand_ops(new);
 }
@@ -377,8 +377,8 @@ static SymOpList *make_mmm()
 static SymOpList *make_222()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 */
-	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
 	new->name = strdup("222");
 	return expand_ops(new);
 }
@@ -387,8 +387,8 @@ static SymOpList *make_222()
 static SymOpList *make_mm2()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 */
-	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2 // l */
+	add_symop(new, v(1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2);  /* m -| k */
 	new->name = strdup("mm2");
 	return expand_ops(new);
 }
@@ -398,98 +398,358 @@ static SymOpList *make_mm2()
 
 static SymOpList *make_4m()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
+	add_symop(new, v(1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* m -| l */
+	new->name = strdup("4/m");
+	return expand_ops(new);
 }
 
 
 static SymOpList *make_4()
 {
 	SymOpList *new = new_symoplist();
-	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 */
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
 	new->name = strdup("4");
 	return expand_ops(new);
 }
 
 
+static SymOpList *make_4mm()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,1), 2); /* m -| l */
+	new->name = strdup("4mmm");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_422()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4);  /* 4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
+	new->name = strdup("422");
+	return expand_ops(new);
+}
+
+
 static SymOpList *make_4bar()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,1,0,0), v(-1,0,0,0), v(0,0,0,-1), 4); /* -4 // l */
+	new->name = strdup("-4");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_4bar2m()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,1,0,0), v(-1,0,0,0), v(0,0,0,-1), 4); /* -4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */
+	new->name = strdup("-42m");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_4barm2()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,1,0,0), v(-1,0,0,0), v(0,0,0,-1), 4); /* -4 // l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,-1), 2); /* 2 // h+k */
+	new->name = strdup("-4m2");
+	return expand_ops(new);
 }
 
 
 static SymOpList *make_4mmm()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,1), 2); /* m -| k */
+	add_symop(new, v(1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* m -| l */
+	new->name = strdup("4/mmm");
+	return expand_ops(new);
 }
 
 
-static SymOpList *make_422()
+/************************** Trigonal (Rhombohedral) ***************************/
+
+static SymOpList *make_3_R()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,0,1), v(1,0,0,0), v(0,1,0,0), 3); /* 3 // h+k+l */
+	new->name = strdup("3_R");
+	return expand_ops(new);
 }
 
 
-static SymOpList *make_4bar2m()
+static SymOpList *make_3bar_R()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,0,1), v(1,0,0,0), v(0,1,0,0), 3); /* -3 // h+k+l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	new->name = strdup("-3_R");
+	return expand_ops(new);
 }
 
 
-static SymOpList *make_4mm()
+static SymOpList *make_32_R()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,0,1), v(1,0,0,0), v(0,1,0,0), 3); /* 3 // h+k+l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,-1), 2); /* 2 -| 3 */
+	new->name = strdup("32_R");
+	return expand_ops(new);
 }
 
 
-/******************************** Rhombohedral ********************************/
+static SymOpList *make_3m_R()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,0,1), v(1,0,0,0), v(0,1,0,0), 3); /* 3 // h+k+l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,1), 2); /* m */
+	new->name = strdup("3m_R");
+	return expand_ops(new);
+}
 
 
-/********************************** Hexgonal **********************************/
+static SymOpList *make_3barm_R()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,0,1), v(1,0,0,0), v(0,1,0,0), 3); /* -3 // h+k+l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,1), 2);    /* m */
+	new->name = strdup("-3m_R");
+	return expand_ops(new);
+}
 
-static SymOpList *make_6m()
+
+/*************************** Trigonal (Hexagonal) *****************************/
+
+static SymOpList *make_3_H()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3); /* 3 // l */
+	new->name = strdup("3_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_3bar_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3);    /* 3 // l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	new->name = strdup("-3_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_321_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3);  /* 3 // l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,-1), 2); /* 2 // h */
+	new->name = strdup("321_H");
+	return expand_ops(new);
 }
 
 
+static SymOpList *make_312_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3);    /* 3 // l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,-1), 2); /* 2 // h+k */
+	new->name = strdup("312_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_3m1_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3); /* 3 // l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,1), 2); /* m -| i */
+	new->name = strdup("3m1_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_31m_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3); /* 3 // l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,1), 2); /* m -| (k+i) */
+	new->name = strdup("31m_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_3barm1_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3);    /* 3 // l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,-1), 2);   /* 2 // h */
+	new->name = strdup("-3m1_H");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_3bar1m_H()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,1), 3);    /* 3 // l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,-1), 2); /* 2 // h+k */
+	new->name = strdup("-31m_H");
+	return expand_ops(new);
+}
+
+
+/********************************** Hexgonal **********************************/
+
 static SymOpList *make_6()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,-1,0), v(-1,0,0,0), v(0,0,0,1), 6); /* 6 // l */
+	new->name = strdup("6");
+	return expand_ops(new);
 }
 
 
 static SymOpList *make_6bar()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,-1), 6); /* -6 // l */
+	new->name = strdup("-6");
+	return expand_ops(new);
 }
 
 
-static SymOpList *make_6mmm()
+static SymOpList *make_6m()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,-1,0), v(-1,0,0,0), v(0,0,0,1), 6); /* 6 // l */
+	add_symop(new, v(1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2);  /* m -| l */
+	new->name = strdup("6/m");
+	return expand_ops(new);
 }
 
 
 static SymOpList *make_622()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,-1,0), v(-1,0,0,0), v(0,0,0,1), 6); /* 6 // l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,-1), 2);   /* 2 // h */
+	new->name = strdup("622");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_6mm()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,-1,0), v(-1,0,0,0), v(0,0,0,1), 6); /* 6 // l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,1), 2); /* m -| i */
+	new->name = strdup("6mm");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_6barm2()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,-1), 6); /* -6 // l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,1), 2); /* m -| i */
+	new->name = strdup("-6m2");
+	return expand_ops(new);
 }
 
 
 static SymOpList *make_6bar2m()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,-1), 6); /* -6 // l */
+	add_symop(new, v(0,1,0,0), v(1,0,0,0), v(0,0,0,1), 2);  /* m -| (k+i) */
+	new->name = strdup("-62m");
+	return expand_ops(new);
 }
 
 
-static SymOpList *make_6mm()
+static SymOpList *make_6mmm()
 {
-	return NULL;
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,0,1,0), v(1,0,0,0), v(0,0,0,-1), 6); /* -6 // l */
+	add_symop(new, v(0,-1,0,0), v(-1,0,0,0), v(0,0,0,1), 2); /* m -| i */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	new->name = strdup("6/mmm");
+	return expand_ops(new);
 }
 
 
 /************************************ Cubic ***********************************/
 
+static SymOpList *make_23()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2// l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2// k */
+	add_symop(new, v(0,1,0,0), v(0,0,0,1), v(1,0,0,0), 3); /* 3// h+k+l */
+	new->name = strdup("23");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_m3bar()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,1), 2); /* 2// l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2// k */
+	add_symop(new, v(0,1,0,0), v(0,0,0,1), v(1,0,0,0), 3); /* 3// h+k+l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	new->name = strdup("m-3");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_432()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2);/* 2 // k */
+	add_symop(new, v(0,1,0,0), v(0,0,0,1), v(1,0,0,0), 3);  /* 3 // h+k+l */
+	new->name = strdup("432");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_4bar3m()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,1,0,0), v(-1,0,0,0), v(0,0,0,-1), 4); /* -4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2);/* 2 // k */
+	add_symop(new, v(0,1,0,0), v(0,0,0,1), v(1,0,0,0), 3);  /* 3 // h+k+l */
+	new->name = strdup("-43m");
+	return expand_ops(new);
+}
+
+
+static SymOpList *make_m3barm()
+{
+	SymOpList *new = new_symoplist();
+	add_symop(new, v(0,-1,0,0), v(1,0,0,0), v(0,0,0,1), 4); /* 4 // l */
+	add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2);/* 2 // k */
+	add_symop(new, v(0,1,0,0), v(0,0,0,1), v(1,0,0,0), 3);  /* 3 // h+k+l */
+	add_symop(new, v(-1,0,0,0), v(0,-1,0,0), v(0,0,0,-1), 2); /* -I */
+	new->name = strdup("m-3m");
+	return expand_ops(new);
+}
+
+
 SymOpList *get_pointgroup(const char *sym)
 {
 	/* Triclinic */
@@ -509,21 +769,47 @@ SymOpList *get_pointgroup(const char *sym)
 	/* Tetragonal */
 	if ( strcmp(sym, "4/m") == 0 ) return make_4m();
 	if ( strcmp(sym, "4") == 0 ) return make_4();
-	if ( strcmp(sym, "4bar") == 0 ) return make_4bar();
+	if ( strcmp(sym, "-4") == 0 ) return make_4bar();
 	if ( strcmp(sym, "4/mmm") == 0 ) return make_4mmm();
 	if ( strcmp(sym, "422") == 0 ) return make_422();
-	if ( strcmp(sym, "4bar2m") == 0 ) return make_4bar2m();
+	if ( strcmp(sym, "-42m") == 0 ) return make_4bar2m();
+	if ( strcmp(sym, "-4m2") == 0 ) return make_4barm2();
 	if ( strcmp(sym, "4mm") == 0 ) return make_4mm();
 
+	/* Trigonal (rhombohedral) */
+	if ( strcmp(sym, "3_R") == 0 ) return make_3_R();
+	if ( strcmp(sym, "-3_R") == 0 ) return make_3bar_R();
+	if ( strcmp(sym, "32_R") == 0 ) return make_32_R();
+	if ( strcmp(sym, "3m_R") == 0 ) return make_3m_R();
+	if ( strcmp(sym, "-3m_R") == 0 ) return make_3barm_R();
+
+	/* Trigonal (hexagonal) */
+	if ( strcmp(sym, "3_H") == 0 ) return make_3_H();
+	if ( strcmp(sym, "-3_H") == 0 ) return make_3bar_H();
+	if ( strcmp(sym, "321_H") == 0 ) return make_321_H();
+	if ( strcmp(sym, "312_H") == 0 ) return make_312_H();
+	if ( strcmp(sym, "3m1_H") == 0 ) return make_3m1_H();
+	if ( strcmp(sym, "31m_H") == 0 ) return make_31m_H();
+	if ( strcmp(sym, "-3m1_H") == 0 ) return make_3barm1_H();
+	if ( strcmp(sym, "-31m_H") == 0 ) return make_3bar1m_H();
+
 	/* Hexagonal */
 	if ( strcmp(sym, "6/m") == 0 ) return make_6m();
 	if ( strcmp(sym, "6") == 0 ) return make_6();
-	if ( strcmp(sym, "6bar") == 0 ) return make_6bar();
+	if ( strcmp(sym, "-6") == 0 ) return make_6bar();
 	if ( strcmp(sym, "6/mmm") == 0 ) return make_6mmm();
 	if ( strcmp(sym, "622") == 0 ) return make_622();
-	if ( strcmp(sym, "6bar2m") == 0 ) return make_6bar2m();
+	if ( strcmp(sym, "-62m") == 0 ) return make_6bar2m();
+	if ( strcmp(sym, "-6m2") == 0 ) return make_6barm2();
 	if ( strcmp(sym, "6mm") == 0 ) return make_6mm();
 
+	/* Cubic */
+	if ( strcmp(sym, "23") == 0 ) return make_23();
+	if ( strcmp(sym, "m-3") == 0 ) return make_m3bar();
+	if ( strcmp(sym, "432") == 0 ) return make_432();
+	if ( strcmp(sym, "-432") == 0 ) return make_4bar3m();
+	if ( strcmp(sym, "m-3m") == 0 ) return make_m3barm();
+
 	ERROR("Unknown point group '%s'\n", sym);
 	return NULL;
 }
@@ -721,6 +1007,101 @@ SymOpList *get_twins(const SymOpList *source, const SymOpList *target)
 }
 
 
+static void add_chars(char *t, const char *s, int max_len)
+{
+	char *tmp;
+
+	tmp = strdup(t);
+
+	snprintf(t, max_len, "%s%s", tmp, s);
+	free(tmp);
+}
+
+
+static char *get_matrix_name(signed int *v)
+{
+	char *text;
+	const int max_len = 9;
+	int i;
+	int printed = 0;
+
+	text = malloc(max_len+1);
+	text[0] = '\0';
+
+	for ( i=0; i<3; i++ ) {
+
+		if ( v[i] == 0 ) continue;
+
+		if ( (i==0) && (v[0]==v[1]) ) {
+			if ( v[i]>0 ) add_chars(text, "-", max_len);
+			add_chars(text, "i", max_len);
+			v[1] -= v[0];
+			continue;
+		}
+
+		if ( printed ) add_chars(text, "+", max_len);
+
+		if ( v[i]<0 ) add_chars(text, "-", max_len);
+
+		if ( abs(v[i])>1 ) {
+			char num[3];
+			snprintf(num, 2, "%i", abs(v[i]));
+			add_chars(text, num, max_len);
+		}
+
+		switch ( i )
+		{
+			case 0  : add_chars(text, "h", max_len); break;
+			case 1  : add_chars(text, "k", max_len); break;
+			case 2  : add_chars(text, "l", max_len); break;
+			default : add_chars(text, "X", max_len); break;
+		}
+
+		printed = 1;
+
+	}
+
+	return text;
+}
+
+
+static char *name_equiv(const struct sym_op *op)
+{
+	char *h, *k, *l;
+	char *name;
+
+	h = get_matrix_name(op->h);
+	k = get_matrix_name(op->k);
+	l = get_matrix_name(op->l);
+	name = malloc(32);
+
+	snprintf(name, 31, "%s%s%s", h, k, l);
+	free(h);
+	free(k);
+	free(l);
+
+	return name;
+}
+
+
+void describe_symmetry(const SymOpList *s)
+{
+	int i, n;
+
+	n = num_equivs(s, NULL);
+
+	STATUS("%10s :", symmetry_name(s));
+
+	for ( i=0; i<n; i++ ) {
+		char *name = name_equiv(&s->ops[i]);
+		STATUS(" %6s", name);
+		free(name);
+		if ( (i!=0) && (i%8==0) ) STATUS("\n%10s  ", "");
+	}
+	STATUS("\n");
+}
+
+
 const char *symmetry_name(const SymOpList *ops)
 {
 	return ops->name;
diff --git a/src/symmetry.h b/src/symmetry.h
index 4ecf11a4..ef6b794e 100644
--- a/src/symmetry.h
+++ b/src/symmetry.h
@@ -50,5 +50,6 @@ extern void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx,
 
 extern int is_centrosymmetric(const SymOpList *s);
 extern SymOpList *get_twins(const SymOpList *source, const SymOpList *target);
+extern void describe_symmetry(const SymOpList *s);
 
 #endif	/* SYMMETRY_H */
diff --git a/tests/symmetry_check.c b/tests/symmetry_check.c
index b3d4cb34..5a2c91d5 100644
--- a/tests/symmetry_check.c
+++ b/tests/symmetry_check.c
@@ -37,11 +37,17 @@ static void check_pg_props(const char *pg, int answer, int centro, int *fail)
 	SymOpList *sym;
 	int n, c;
 
-	//STATUS("**************************************** Testing '%s'\n", pg);
-
 	sym = get_pointgroup(pg);
+
+	if ( sym == NULL ) {
+		*fail = 1;
+		return;
+	}
+
 	n = num_equivs(sym, NULL);
 
+	describe_symmetry(sym);
+
 	if ( n != answer ) {
 		ERROR("Number of equivalents in '%s' is %i (not %i).\n",
 		      pg, n, answer);
@@ -63,18 +69,63 @@ int main(int argc, char *argv[])
 {
 	int fail = 0;
 
-	check_pg_props(  "1",  1, 0, &fail);
-	check_pg_props( "-1",  2, 1, &fail);
-
-	check_pg_props(  "2",  2, 0, &fail);
-	check_pg_props(  "m",  2, 0, &fail);
-	check_pg_props("2/m",  4, 1, &fail);
-
-	check_pg_props("222",  4, 0, &fail);
-	check_pg_props("mm2",  4, 0, &fail);
-	check_pg_props("mmm",  8, 1, &fail);
-
-	check_pg_props(  "4",  4, 0, &fail);
+	check_pg_props(    "1",   1,  0, &fail);
+	check_pg_props(   "-1",   2,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(    "2",   2,  0, &fail);
+	check_pg_props(    "m",   2,  0, &fail);
+	check_pg_props(  "2/m",   4,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(  "222",   4,  0, &fail);
+	check_pg_props(  "mm2",   4,  0, &fail);
+	check_pg_props(  "mmm",   8,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(     "4",  4,  0, &fail);
+	check_pg_props(    "-4",  4,  0, &fail);
+	check_pg_props(   "4/m",  8,  1, &fail);
+	check_pg_props(   "422",  8,  0, &fail);
+	check_pg_props(   "4mm",  8,  0, &fail);
+	check_pg_props(  "-42m",  8,  0, &fail);
+	check_pg_props(  "-4m2",  8,  0, &fail);
+	check_pg_props( "4/mmm", 16,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(  "3_R",   3,  0, &fail);
+	check_pg_props( "-3_R",   6,  1, &fail);
+	check_pg_props( "32_R",   6,  0, &fail);
+	check_pg_props( "3m_R",   6,  0, &fail);
+	check_pg_props("-3m_R",  12,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(   "3_H",  3,  0, &fail);
+	check_pg_props(  "-3_H",  6,  1, &fail);
+	check_pg_props( "321_H",  6,  0, &fail);
+	check_pg_props( "312_H",  6,  0, &fail);
+	check_pg_props( "3m1_H",  6,  0, &fail);
+	check_pg_props( "31m_H",  6,  0, &fail);
+	check_pg_props("-3m1_H", 12,  1, &fail);
+	check_pg_props("-31m_H", 12,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(     "6",  6,  0, &fail);
+	check_pg_props(    "-6",  6,  0, &fail);
+	check_pg_props(   "6/m", 12,  1, &fail);
+	check_pg_props(   "622", 12,  0, &fail);
+	check_pg_props(   "6mm", 12,  0, &fail);
+	check_pg_props(  "-6m2", 12,  0, &fail);
+	check_pg_props(  "-62m", 12,  0, &fail);
+	check_pg_props( "6/mmm", 24,  1, &fail);
+	STATUS("\n");
+
+	check_pg_props(   "23",  12,  0, &fail);
+	check_pg_props(  "m-3",  24,  1, &fail);
+	check_pg_props(  "432",  24,  0, &fail);
+	check_pg_props( "-432",  24,  0, &fail);
+	check_pg_props( "m-3m",  48,  1, &fail);
+	STATUS("\n");
 
 	return fail;
 }