R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.112340 24.112340 13.826178 90.000000 90.000000120.000000                   
ATOM  -1: X=0.68900000 Y=0.81100000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.31100000 Y=0.18900000 Z=0.75000000
      -1: X=0.81100000 Y=0.25000000 Z=0.68900000
      -1: X=0.18900000 Y=0.75000000 Z=0.31100000
      -1: X=0.25000000 Y=0.68900000 Z=0.81100000
      -1: X=0.75000000 Y=0.31100000 Z=0.18900000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.36100000 Y=0.13900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.63900000 Y=0.86100000 Z=0.75000000
      -2: X=0.13900000 Y=0.25000000 Z=0.36100000
      -2: X=0.86100000 Y=0.75000000 Z=0.63900000
      -2: X=0.25000000 Y=0.36100000 Z=0.13900000
      -2: X=0.75000000 Y=0.63900000 Z=0.86100000
B          NPT=  781  R0=.000100000 RMT= 1.15        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.46500000 Y=0.03500000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.53500000 Y=0.96500000 Z=0.75000000
      -3: X=0.03500000 Y=0.25000000 Z=0.46500000
      -3: X=0.96500000 Y=0.75000000 Z=0.53500000
      -3: X=0.25000000 Y=0.46500000 Z=0.03500000
      -3: X=0.75000000 Y=0.53500000 Z=0.96500000
O          NPT=  781  R0=.000100000 RMT= 1.34        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  -4: X=0.14600000 Y=0.35400000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.85400000 Y=0.64600000 Z=0.75000000
      -4: X=0.35400000 Y=0.25000000 Z=0.14600000
      -4: X=0.64600000 Y=0.75000000 Z=0.85400000
      -4: X=0.25000000 Y=0.14600000 Z=0.35400000
      -4: X=0.75000000 Y=0.85400000 Z=0.64600000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000