P   LATTICE,NONEQUIV.ATOMS   7   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.079981 10.113247 10.111736 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40950000 Y=0.01540000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.59050000 Y=0.98460000 Z=0.75000000
      -1: X=0.59050000 Y=0.51540000 Z=0.25000000
      -1: X=0.40950000 Y=0.48460000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.22        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10690000 Y=0.02980000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.89310000 Y=0.97020000 Z=0.75000000
      -2: X=0.89310000 Y=0.52980000 Z=0.25000000
      -2: X=0.10690000 Y=0.47020000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.10        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=0.26100000 Y=0.51110000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73900000 Y=0.48890000 Z=0.75000000
      -3: X=0.73900000 Y=0.01110000 Z=0.25000000
      -3: X=0.26100000 Y=0.98890000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.67        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.79380000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.20620000 Y=0.75000000 Z=0.00000000
      -4: X=0.79380000 Y=0.25000000 Z=0.50000000
      -4: X=0.20620000 Y=0.75000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -5: X=0.24290000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75710000 Y=0.75000000 Z=0.00000000
      -5: X=0.24290000 Y=0.25000000 Z=0.50000000
      -5: X=0.75710000 Y=0.75000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -6: X=0.07030000 Y=0.41910000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.92970000 Y=0.58090000 Z=0.75000000
      -6: X=0.92970000 Y=0.91910000 Z=0.25000000
      -6: X=0.07030000 Y=0.08090000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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=0.60200000 Y=0.05680000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.39800000 Y=0.94320000 Z=0.75000000
      -7: X=0.39800000 Y=0.55680000 Z=0.25000000
      -7: X=0.60200000 Y=0.44320000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000