H   LATTICE,NONEQUIV.ATOMS   7  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.829686 11.829686 23.147255 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.23360000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.73360000
Y          NPT=  781  R0=.000010000 RMT= 2.24        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.26480000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.76480000
      -2: X=0.66666667 Y=0.33333333 Z=0.26480000
      -2: X=0.33333334 Y=0.66666667 Z=0.76480000
Y          NPT=  781  R0=.000010000 RMT= 2.24        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33400000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -3: X=0.33400000 Y=0.33400000 Z=0.00000000
      -3: X=0.00000000 Y=0.33400000 Z=0.50000000
      -3: X=0.66600000 Y=0.00000000 Z=0.00000000
      -3: X=0.66600000 Y=0.66600000 Z=0.50000000
      -3: X=0.00000000 Y=0.66600000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.11        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30900000 Y=0.00000000 Z=0.33020000
          MULT= 6          ISPLIT= 8
      -4: X=0.30900000 Y=0.30900000 Z=0.83020000
      -4: X=0.00000000 Y=0.30900000 Z=0.33020000
      -4: X=0.69100000 Y=0.00000000 Z=0.83020000
      -4: X=0.69100000 Y=0.69100000 Z=0.33020000
      -4: X=0.00000000 Y=0.69100000 Z=0.83020000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.63210000 Y=0.00000000 Z=0.16970000
          MULT= 6          ISPLIT= 8
      -5: X=0.63210000 Y=0.63210000 Z=0.66970000
      -5: X=0.00000000 Y=0.63210000 Z=0.16970000
      -5: X=0.36790000 Y=0.00000000 Z=0.66970000
      -5: X=0.36790000 Y=0.36790000 Z=0.16970000
      -5: X=0.00000000 Y=0.36790000 Z=0.66970000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.01390000
          MULT= 2          ISPLIT= 4
      -6: X=0.00000000 Y=0.00000000 Z=0.51390000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33333333 Y=0.66666667 Z=0.46800000
          MULT= 4          ISPLIT= 4
      -7: X=0.66666666 Y=0.33333333 Z=0.96800000
      -7: X=0.66666667 Y=0.33333333 Z=0.46800000
      -7: X=0.33333334 Y=0.66666667 Z=0.96800000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000