CdS_mp-672_computed
1.0
        4.2065000534         0.0000000000         0.0000000000
       -2.1032500267         3.6429359073         0.0000000000
        0.0000000000         0.0000000000         6.8428997993
   Cd    S
    2    2
Direct
     0.333330005         0.666670024         0.499839991
     0.666670024         0.333330005         0.999840021
     0.333330005         0.666670024         0.123159997
     0.666670024         0.333330005         0.623160005
