H   LATTICE,NONEQUIV.ATOMS   7  189 P-62m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.037771 17.037771  7.446088 90.000000 90.000000120.000000                   
ATOM  -1: X=0.38254000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.61746000 Y=0.61746000 Z=0.50000000
      -1: X=0.00000000 Y=0.38254000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.71876000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.28124000 Y=0.28124000 Z=0.00000000
      -2: X=0.00000000 Y=0.71876000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 1.80        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.72120000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.27880000 Y=0.27880000 Z=0.50000000
      -3: X=0.00000000 Y=0.72120000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.90        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.31671000 Y=0.51796000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.20125000 Y=0.68329000 Z=0.00000000
      -4: X=0.51796000 Y=0.31671000 Z=0.00000000
      -4: X=0.48204000 Y=0.79875000 Z=0.00000000
      -4: X=0.79875000 Y=0.48204000 Z=0.00000000
      -4: X=0.68329000 Y=0.20125000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.25        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=0.14244000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.85756000 Y=0.85756000 Z=0.00000000
      -5: X=0.00000000 Y=0.14244000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.25        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  -6: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.14        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.14        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000