B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.294704 19.800928 15.353080 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 2.19        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.63430000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.36570000
Mg         NPT=  781  R0=.000100000 RMT= 2.19        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.14129000 Z=0.38453000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.85871000 Z=0.61547000
      -3: X=0.00000000 Y=0.64129000 Z=0.61547000
      -3: X=0.00000000 Y=0.35871000 Z=0.38453000
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.08263000 Z=0.17609000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.91737000 Z=0.82391000
      -4: X=0.00000000 Y=0.58263000 Z=0.82391000
      -4: X=0.00000000 Y=0.41737000 Z=0.17609000
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.66644000 Z=0.02505000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.33356000 Z=0.97495000
      -5: X=0.00000000 Y=0.16644000 Z=0.97495000
      -5: X=0.00000000 Y=0.83356000 Z=0.02505000
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.15598000 Y=0.56350000 Z=0.16355000
          MULT= 8          ISPLIT= 8
      -6: X=0.84402000 Y=0.43650000 Z=0.83645000
      -6: X=0.15598000 Y=0.06350000 Z=0.83645000
      -6: X=0.84402000 Y=0.93650000 Z=0.16355000
      -6: X=0.84402000 Y=0.56350000 Z=0.16355000
      -6: X=0.15598000 Y=0.43650000 Z=0.83645000
      -6: X=0.84402000 Y=0.06350000 Z=0.83645000
      -6: X=0.15598000 Y=0.93650000 Z=0.16355000
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24724000 Y=0.07803000 Z=0.04460000
          MULT= 8          ISPLIT= 8
      -7: X=0.75276000 Y=0.92197000 Z=0.95540000
      -7: X=0.24724000 Y=0.57803000 Z=0.95540000
      -7: X=0.75276000 Y=0.42197000 Z=0.04460000
      -7: X=0.75276000 Y=0.07803000 Z=0.04460000
      -7: X=0.24724000 Y=0.92197000 Z=0.95540000
      -7: X=0.75276000 Y=0.57803000 Z=0.95540000
      -7: X=0.24724000 Y=0.42197000 Z=0.04460000
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000