P   LATTICE,NONEQUIV.ATOMS   7   13 P2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.452738  8.051934 12.404918 90.000000 90.000000 90.511000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.70478000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.29522000
      -1: X=0.75000000 Y=0.50000000 Z=0.70478000
      -1: X=0.25000000 Y=0.50000000 Z=0.29522000
Y          NPT=  781  R0=.000010000 RMT= 1.93        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  -2: X=0.25000000 Y=0.50000000 Z=0.69650000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.50000000 Z=0.30350000
      -2: X=0.75000000 Y=0.00000000 Z=0.69650000
      -2: X=0.25000000 Y=0.00000000 Z=0.30350000
F          NPT=  781  R0=.000100000 RMT= 1.53        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09409000 Y=0.09830000 Z=0.16947000
          MULT= 4          ISPLIT= 8
      -3: X=0.90591000 Y=0.90170000 Z=0.83053000
      -3: X=0.90591000 Y=0.40170000 Z=0.16947000
      -3: X=0.09409000 Y=0.59830000 Z=0.83053000
Mo         NPT=  781  R0=.000010000 RMT= 1.68        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.09720000 Y=0.49720000 Z=0.15720000
          MULT= 4          ISPLIT= 8
      -4: X=0.90280000 Y=0.50280000 Z=0.84280000
      -4: X=0.90280000 Y=0.00280000 Z=0.15720000
      -4: X=0.09720000 Y=0.99720000 Z=0.84280000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.12710000 Y=0.01640000 Z=0.42220000
          MULT= 4          ISPLIT= 8
      -5: X=0.87290000 Y=0.98360000 Z=0.57780000
      -5: X=0.87290000 Y=0.48360000 Z=0.42220000
      -5: X=0.12710000 Y=0.51640000 Z=0.57780000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.56630000 Y=0.00260000 Z=0.14980000
          MULT= 4          ISPLIT= 8
      -6: X=0.43370000 Y=0.99740000 Z=0.85020000
      -6: X=0.43370000 Y=0.49740000 Z=0.14980000
      -6: X=0.56630000 Y=0.50260000 Z=0.85020000
O          NPT=  781  R0=.000100000 RMT= 1.46        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  -7: X=0.25000000 Y=0.00000000 Z=0.06110000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.00000000 Z=0.93890000
      -7: X=0.75000000 Y=0.50000000 Z=0.06110000
      -7: X=0.25000000 Y=0.50000000 Z=0.93890000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000