CdS_mp-672_computed                     
   1.00000000000000     
     4.2065000534000001    0.0000000000000000    0.0000000000000000
    -2.1032500267000001    3.6429359073000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.8428997992999996
   Cd   S 
     2     2
Direct
  0.3333300050000005  0.6666700239999983  0.4998399910000018
  0.6666700239999983  0.3333300050000005  0.9998400209999971
  0.3333300050000005  0.6666700239999983  0.1231599970000019
  0.6666700239999983  0.3333300050000005  0.6231600050000026
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
