Ba1 Ti1 O3
1.0
4.018966 0.000000 0.000000
0.000000 4.018966 0.000000
0.000000 0.000000 4.114244
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.010566 Ba
0.500000 0.500000 0.518823 Ti
0.000000 0.500000 0.498010 O
0.500000 0.000000 0.498010 O
0.500000 0.500000 0.988591 O
