P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.705394 12.588411  9.903299 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40203000 Y=0.25000000 Z=0.06866000
          MULT= 4          ISPLIT= 8
      -1: X=0.59797000 Y=0.75000000 Z=0.93134000
      -1: X=0.90203000 Y=0.25000000 Z=0.43134000
      -1: X=0.09797000 Y=0.75000000 Z=0.56866000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.24        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  -3: X=0.21941000 Y=0.25000000 Z=0.50656000
          MULT= 4          ISPLIT= 8
      -3: X=0.78059000 Y=0.75000000 Z=0.49344000
      -3: X=0.71941000 Y=0.25000000 Z=0.99344000
      -3: X=0.28059000 Y=0.75000000 Z=0.00656000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        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  -4: X=0.03890000 Y=0.25000000 Z=0.31510000
          MULT= 4          ISPLIT= 8
      -4: X=0.96110000 Y=0.75000000 Z=0.68490000
      -4: X=0.53890000 Y=0.25000000 Z=0.18490000
      -4: X=0.46110000 Y=0.75000000 Z=0.81510000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.39620000 Y=0.25000000 Z=0.74820000
          MULT= 4          ISPLIT= 8
      -5: X=0.60380000 Y=0.75000000 Z=0.25180000
      -5: X=0.89620000 Y=0.25000000 Z=0.75180000
      -5: X=0.10380000 Y=0.75000000 Z=0.24820000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33231000 Y=0.05130000 Z=0.20380000
          MULT= 8          ISPLIT= 8
      -6: X=0.66769000 Y=0.94870000 Z=0.79620000
      -6: X=0.83231000 Y=0.05130000 Z=0.29620000
      -6: X=0.16769000 Y=0.94870000 Z=0.70380000
      -6: X=0.16769000 Y=0.55130000 Z=0.70380000
      -6: X=0.83231000 Y=0.44870000 Z=0.29620000
      -6: X=0.66769000 Y=0.55130000 Z=0.79620000
      -6: X=0.33231000 Y=0.44870000 Z=0.20380000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000