Ba1 Ti1 O3
1.0
4.015446 0.000000 0.000000
0.000000 4.015446 0.000000
0.000000 0.000000 4.134544
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.012507 Ba
0.500000 0.500000 0.522829 Ti
0.000000 0.500000 0.496812 O
0.500000 0.000000 0.496812 O
0.500000 0.500000 0.985038 O
