CaS Fm-3m (No.225)
1.0
  3.500468 0.000000 2.020996
  1.166823 3.300273 2.020996
  0.000000 0.000000 4.041992
Ca S
 1 1
direct
  0.000000 0.000000 0.000000 Ca
  0.500000 0.500000 0.500000 S
