Ba1 Ti1 O3
1.0
4.008407 0.000000 0.000000
0.000000 4.008407 0.000000
0.000000 0.000000 4.175144
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.016390 Ba
0.500000 0.500000 0.530840 Ti
0.000000 0.500000 0.494417 O
0.500000 0.000000 0.494417 O
0.500000 0.500000 0.977934 O
