H   LATTICE,NONEQUIV.ATOMS   7  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.929231 10.929231 18.707533 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.55144000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.05144000
Zn         NPT=  781  R0=.000050000 RMT= 1.97        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.98674000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.48674000
Zn         NPT=  781  R0=.000050000 RMT= 1.97        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14596000 Y=0.85404000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.29192000 Y=0.14596000 Z=0.75000000
      -3: X=0.85404000 Y=0.14596000 Z=0.75000000
      -3: X=0.14596000 Y=0.29192000 Z=0.25000000
      -3: X=0.70808000 Y=0.85404000 Z=0.25000000
      -3: X=0.85404000 Y=0.70808000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 1.93        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.10810000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.60810000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.35480000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.85480000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.48840000 Y=0.51160000 Z=0.13370000
          MULT= 6          ISPLIT= 8
      -6: X=0.97680000 Y=0.48840000 Z=0.63370000
      -6: X=0.51160000 Y=0.48840000 Z=0.63370000
      -6: X=0.48840000 Y=0.97680000 Z=0.13370000
      -6: X=0.02320000 Y=0.51160000 Z=0.13370000
      -6: X=0.51160000 Y=0.02320000 Z=0.63370000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.83280000 Y=0.16720000 Z=0.36660000
          MULT= 6          ISPLIT= 8
      -7: X=0.66560000 Y=0.83280000 Z=0.86660000
      -7: X=0.16720000 Y=0.83280000 Z=0.86660000
      -7: X=0.83280000 Y=0.66560000 Z=0.36660000
      -7: X=0.33440000 Y=0.16720000 Z=0.36660000
      -7: X=0.16720000 Y=0.33440000 Z=0.86660000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000