R   LATTICE,NONEQUIV.ATOMS   6  161 R3c                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.329820 19.329820 25.560245 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37280000 Y=0.37280000 Z=0.37280000
          MULT= 2          ISPLIT= 4
      -1: X=0.87280000 Y=0.87280000 Z=0.87280000
P          NPT=  781  R0=.000100000 RMT= 1.25        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19040000 Y=0.05681000 Z=0.87750000
          MULT= 6          ISPLIT= 8
      -2: X=0.05681000 Y=0.87750000 Z=0.19040000
      -2: X=0.69040000 Y=0.37750000 Z=0.55681000
      -2: X=0.87750000 Y=0.19040000 Z=0.05681000
      -2: X=0.37750000 Y=0.55681000 Z=0.69040000
      -2: X=0.55681000 Y=0.69040000 Z=0.37750000
P          NPT=  781  R0=.000100000 RMT= 1.25        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26110000 Y=0.26110000 Z=0.26110000
          MULT= 2          ISPLIT= 4
      -3: X=0.76110000 Y=0.76110000 Z=0.76110000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -4: X=0.44120000 Y=0.55420000 Z=0.27750000
          MULT= 6          ISPLIT= 8
      -4: X=0.55420000 Y=0.27750000 Z=0.44120000
      -4: X=0.94120000 Y=0.77750000 Z=0.05420000
      -4: X=0.27750000 Y=0.44120000 Z=0.55420000
      -4: X=0.77750000 Y=0.05420000 Z=0.94120000
      -4: X=0.05420000 Y=0.94120000 Z=0.77750000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.21490000 Y=0.94849000 Z=0.05630000
          MULT= 6          ISPLIT= 8
      -5: X=0.94849000 Y=0.05630000 Z=0.21490000
      -5: X=0.71490000 Y=0.55630000 Z=0.44849000
      -5: X=0.05630000 Y=0.21490000 Z=0.94849000
      -5: X=0.55630000 Y=0.44849000 Z=0.71490000
      -5: X=0.44849000 Y=0.71490000 Z=0.55630000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.34980000 Y=0.10729000 Z=0.78240000
          MULT= 6          ISPLIT= 8
      -6: X=0.10729000 Y=0.78240000 Z=0.34980000
      -6: X=0.84980000 Y=0.28240000 Z=0.60729000
      -6: X=0.78240000 Y=0.34980000 Z=0.10729000
      -6: X=0.28240000 Y=0.60729000 Z=0.84980000
      -6: X=0.60729000 Y=0.84980000 Z=0.28240000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000