Ba1 Ti1 O3
1.0
4.022485 0.000000 0.000000
0.000000 4.022485 0.000000
0.000000 0.000000 4.093944
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.008624 Ba
0.500000 0.500000 0.514817 Ti
0.000000 0.500000 0.499207 O
0.500000 0.000000 0.499207 O
0.500000 0.500000 0.992143 O
