P   LATTICE,NONEQUIV.ATOMS   6   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.939290 13.432173 20.896592 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.62520000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.37480000 Y=0.75000000 Z=0.00000000
      -1: X=0.62520000 Y=0.25000000 Z=0.50000000
      -1: X=0.37480000 Y=0.75000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.19        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=0.13840000 Y=0.02360000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.86160000 Y=0.97640000 Z=0.75000000
      -2: X=0.86160000 Y=0.52360000 Z=0.25000000
      -2: X=0.13840000 Y=0.47640000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.19        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.49580000 Y=0.29930000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50420000 Y=0.70070000 Z=0.75000000
      -3: X=0.50420000 Y=0.79930000 Z=0.25000000
      -3: X=0.49580000 Y=0.20070000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12909000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.87091000 Y=0.75000000 Z=0.00000000
      -4: X=0.12909000 Y=0.25000000 Z=0.50000000
      -4: X=0.87091000 Y=0.75000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.02970000 Y=0.76480000 Z=0.12260000
          MULT= 8          ISPLIT= 8
      -5: X=0.97030000 Y=0.23520000 Z=0.87740000
      -5: X=0.02970000 Y=0.76480000 Z=0.37740000
      -5: X=0.97030000 Y=0.23520000 Z=0.62260000
      -5: X=0.97030000 Y=0.26480000 Z=0.12260000
      -5: X=0.02970000 Y=0.73520000 Z=0.87740000
      -5: X=0.97030000 Y=0.26480000 Z=0.37740000
      -5: X=0.02970000 Y=0.73520000 Z=0.62260000
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
ATOM  -6: X=0.29000000 Y=0.06690000 Z=0.02720000
          MULT= 8          ISPLIT= 8
      -6: X=0.71000000 Y=0.93310000 Z=0.97280000
      -6: X=0.29000000 Y=0.06690000 Z=0.47280000
      -6: X=0.71000000 Y=0.93310000 Z=0.52720000
      -6: X=0.71000000 Y=0.56690000 Z=0.02720000
      -6: X=0.29000000 Y=0.43310000 Z=0.97280000
      -6: X=0.71000000 Y=0.56690000 Z=0.47280000
      -6: X=0.29000000 Y=0.43310000 Z=0.52720000
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