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authorThomas White <taw@physics.org>2010-09-04 14:15:33 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:56 +0100
commitee31a8c99cec9923376dc2919c4730654434fb02 (patch)
tree6f9f8748c931f0779e2b4708f984056199bb5bb7
parent2c86e6ef610d8428aef151cad4e0bfc0efbfce48 (diff)
Add P 21 21 21
-rw-r--r--src/cell.c1
1 files changed, 1 insertions, 0 deletions
diff --git a/src/cell.c b/src/cell.c
index 9ae51f0a..a13ad577 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -762,6 +762,7 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym)
char *new = NULL;
if ( strcmp(sym, "P 63") == 0 ) new = "6";
+ if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222";
if ( new != NULL ) {
free(cell->pointgroup);