B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.760608 19.244782 14.072224 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.10        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
Ca         NPT=  781  R0=.000050000 RMT= 2.10        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.25000000 Y=0.75000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.96        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 1.96        Z:  51.00000              
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=0.25000000 Z=0.15140000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.84860000
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=0.00000000 Y=0.59210000 Z=0.27190000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.40790000 Z=0.72810000
      -6: X=0.00000000 Y=0.09210000 Z=0.72810000
      -6: X=0.00000000 Y=0.90790000 Z=0.27190000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.29280000 Y=0.11820000 Z=0.06420000
          MULT= 8          ISPLIT= 8
      -7: X=0.70720000 Y=0.88180000 Z=0.93580000
      -7: X=0.29280000 Y=0.61820000 Z=0.93580000
      -7: X=0.70720000 Y=0.38180000 Z=0.06420000
      -7: X=0.70720000 Y=0.11820000 Z=0.06420000
      -7: X=0.29280000 Y=0.88180000 Z=0.93580000
      -7: X=0.70720000 Y=0.61820000 Z=0.93580000
      -7: X=0.29280000 Y=0.38180000 Z=0.06420000
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