Ba1 Ti1 O3
1.0
4.004888 0.000000 0.000000
0.000000 4.004888 0.000000
0.000000 0.000000 4.195444
Ba Ti O
1 1 3
direct
0.000000 0.000000 0.018332 Ba
0.500000 0.500000 0.534846 Ti
0.000000 0.500000 0.493220 O
0.500000 0.000000 0.493220 O
0.500000 0.500000 0.974381 O
