CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.810324 19.494415 21.333307 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.05287000 Z=0.35602000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.94713000 Z=0.64398000
      -1: X=0.00000000 Y=0.55287000 Z=0.14398000
      -1: X=0.00000000 Y=0.44713000 Z=0.85602000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        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=0.00000000 Y=0.36209000 Z=0.42565000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.63791000 Z=0.57435000
      -2: X=0.00000000 Y=0.86209000 Z=0.07435000
      -2: X=0.00000000 Y=0.13791000 Z=0.92565000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        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  -3: X=0.00000000 Y=0.24380000 Z=0.16570000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75620000 Z=0.83430000
      -3: X=0.00000000 Y=0.74380000 Z=0.33430000
      -3: X=0.00000000 Y=0.25620000 Z=0.66570000
P          NPT=  781  R0=.000100000 RMT= 1.45        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.33760000 Z=0.05420000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.66240000 Z=0.94580000
      -4: X=0.00000000 Y=0.83760000 Z=0.44580000
      -4: X=0.00000000 Y=0.16240000 Z=0.55420000
N          NPT=  781  R0=.000100000 RMT= 1.53        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.08470000 Z=0.14130000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.91530000 Z=0.85870000
      -5: X=0.00000000 Y=0.58470000 Z=0.35870000
      -5: X=0.00000000 Y=0.41530000 Z=0.64130000
N          NPT=  781  R0=.000100000 RMT= 1.53        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.28830000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.75000000 Y=0.71170000 Z=0.75000000
      -6: X=0.25000000 Y=0.78830000 Z=0.25000000
      -6: X=0.75000000 Y=0.21170000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 1.53        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000