R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 24.488963 24.488963 16.676830 90.000000 90.000000120.000000                   
ATOM  -1: X=0.39610000 Y=0.46970000 Z=0.19200000
          MULT= 6          ISPLIT= 8
      -1: X=0.60390000 Y=0.53030000 Z=0.80800000
      -1: X=0.46970000 Y=0.19200000 Z=0.39610000
      -1: X=0.53030000 Y=0.80800000 Z=0.60390000
      -1: X=0.19200000 Y=0.39610000 Z=0.46970000
      -1: X=0.80800000 Y=0.60390000 Z=0.53030000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27490000 Y=0.42301000 Z=0.81650000
          MULT= 6          ISPLIT= 8
      -3: X=0.72510000 Y=0.57699000 Z=0.18350000
      -3: X=0.42301000 Y=0.81650000 Z=0.27490000
      -3: X=0.57699000 Y=0.18350000 Z=0.72510000
      -3: X=0.81650000 Y=0.27490000 Z=0.42301000
      -3: X=0.18350000 Y=0.72510000 Z=0.57699000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        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=0.34670000 Y=0.11370000 Z=0.03340000
          MULT= 6          ISPLIT= 8
      -4: X=0.65330000 Y=0.88630000 Z=0.96660000
      -4: X=0.11370000 Y=0.03340000 Z=0.34670000
      -4: X=0.88630000 Y=0.96660000 Z=0.65330000
      -4: X=0.03340000 Y=0.34670000 Z=0.11370000
      -4: X=0.96660000 Y=0.65330000 Z=0.88630000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000