CXY LATTICE,NONEQUIV.ATOMS   3   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  5.943189 21.134697  9.418395 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.09340000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.90660000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.70600000 Z=0.30300000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.29400000 Z=0.80300000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.42700000 Z=0.12200000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.57300000 Z=0.62200000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000