CXY LATTICE,NONEQUIV.ATOMS   8   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.028760 19.797149 14.082617 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 2.05        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.49400000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50600000 Y=0.00000000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT= 2.11        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.23790000 Y=0.23600000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76210000 Y=0.76400000 Z=0.75000000
      -3: X=0.23790000 Y=0.76400000 Z=0.75000000
      -3: X=0.76210000 Y=0.23600000 Z=0.25000000
Y          NPT=  781  R0=.000010000 RMT= 2.11        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  -4: X=0.31500000 Y=0.35700000 Z=0.47200000
          MULT= 4          ISPLIT= 8
      -4: X=0.68500000 Y=0.64300000 Z=0.97200000
      -4: X=0.31500000 Y=0.64300000 Z=0.52800000
      -4: X=0.68500000 Y=0.35700000 Z=0.02800000
O          NPT=  781  R0=.000100000 RMT= 1.76        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  -5: X=0.27300000 Y=0.39200000 Z=0.04200000
          MULT= 4          ISPLIT= 8
      -5: X=0.72700000 Y=0.60800000 Z=0.54200000
      -5: X=0.27300000 Y=0.60800000 Z=0.95800000
      -5: X=0.72700000 Y=0.39200000 Z=0.45800000
O          NPT=  781  R0=.000100000 RMT= 1.76        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=0.00000000 Y=0.63000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.37000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.76        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  -7: X=0.00000000 Y=0.35100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.64900000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.76        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  -8: X=0.00000000 Y=0.07700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.92300000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000