P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.739101  9.972085 11.249540 90.000000 90.000000109.056000                   
ATOM  -1: X=0.35110000 Y=0.34690000 Z=0.13420000
          MULT= 4          ISPLIT= 8
      -1: X=0.64890000 Y=0.65310000 Z=0.86580000
      -1: X=0.14890000 Y=0.15310000 Z=0.63420000
      -1: X=0.85110000 Y=0.84690000 Z=0.36580000
Rb         NPT=  781  R0=.000010000 RMT= 1.71        Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07960000 Y=0.01580000 Z=0.11630000
          MULT= 4          ISPLIT= 8
      -2: X=0.92040000 Y=0.98420000 Z=0.88370000
      -2: X=0.42040000 Y=0.48420000 Z=0.61630000
      -2: X=0.57960000 Y=0.51580000 Z=0.38370000
As         NPT=  781  R0=.000050000 RMT= 1.67        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.65720000 Y=0.23200000 Z=0.56670000
          MULT= 4          ISPLIT= 8
      -3: X=0.34280000 Y=0.76800000 Z=0.43330000
      -3: X=0.84280000 Y=0.26800000 Z=0.06670000
      -3: X=0.15720000 Y=0.73200000 Z=0.93330000
F          NPT=  781  R0=.000100000 RMT= 1.34        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  -4: X=0.33530000 Y=0.14900000 Z=0.61340000
          MULT= 4          ISPLIT= 8
      -4: X=0.66470000 Y=0.85100000 Z=0.38660000
      -4: X=0.16470000 Y=0.35100000 Z=0.11340000
      -4: X=0.83530000 Y=0.64900000 Z=0.88660000
F          NPT=  781  R0=.000100000 RMT= 1.34        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  -5: X=0.14960000 Y=0.21880000 Z=0.32650000
          MULT= 4          ISPLIT= 8
      -5: X=0.85040000 Y=0.78120000 Z=0.67350000
      -5: X=0.35040000 Y=0.28120000 Z=0.82650000
      -5: X=0.64960000 Y=0.71880000 Z=0.17350000
F          NPT=  781  R0=.000100000 RMT= 1.34        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  -6: X=0.01920000 Y=0.80120000 Z=0.32800000
          MULT= 4          ISPLIT= 8
      -6: X=0.98080000 Y=0.19880000 Z=0.67200000
      -6: X=0.48080000 Y=0.69880000 Z=0.82800000
      -6: X=0.51920000 Y=0.30120000 Z=0.17200000
F          NPT=  781  R0=.000100000 RMT= 1.34        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  -7: X=0.49020000 Y=0.18520000 Z=0.39050000
          MULT= 4          ISPLIT= 8
      -7: X=0.50980000 Y=0.81480000 Z=0.60950000
      -7: X=0.00980000 Y=0.31480000 Z=0.89050000
      -7: X=0.99020000 Y=0.68520000 Z=0.10950000
O          NPT=  781  R0=.000100000 RMT= 1.32        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000