Ba1 Ti1 O3
1.0
4.029524 0.000000 0.000000
0.000000 4.029524 0.000000
0.000000 0.000000 4.053344
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.004741 Ba
0.500000 0.500000 0.506806 Ti
0.000000 0.500000 0.501602 O
0.500000 0.000000 0.501602 O
0.500000 0.500000 0.999248 O
