bulk@auid-62c128426fce64bd
1.0
0.000000 4.220007 4.220007
4.220007 0.000000 4.220007
4.220007 4.220007 0.000000
Ba Bi Cl
2 1 1
direct
0.250000 0.250000 0.250000 Ba
0.750000 0.750000 0.750000 Ba
0.000000 0.000000 0.000000 Bi
0.500000 0.500000 0.500000 Cl
