Ca4 F8
1.0
5.516052 0.000000 0.000000
0.000000 5.516052 0.000000
0.000000 0.000000 5.516052
Ca F
4 8
direct
0.000000 0.000000 0.000000 Ca
0.000000 0.500000 0.500000 Ca
0.500000 0.000000 0.500000 Ca
0.500000 0.500000 0.000000 Ca
0.250000 0.250000 0.250000 F
0.250000 0.250000 0.750000 F
0.250000 0.750000 0.750000 F
0.250000 0.750000 0.250000 F
0.750000 0.250000 0.750000 F
0.750000 0.250000 0.250000 F
0.750000 0.750000 0.250000 F
0.750000 0.750000 0.750000 F
