R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 28.223059 28.223059 15.978007 90.000000 90.000000120.000000                   
ATOM  -1: X=0.15374000 Y=0.24105000 Z=0.02011000
          MULT= 6          ISPLIT= 8
      -1: X=0.84626000 Y=0.75895000 Z=0.97989000
      -1: X=0.24105000 Y=0.02011000 Z=0.15374000
      -1: X=0.75895000 Y=0.97989000 Z=0.84626000
      -1: X=0.02011000 Y=0.15374000 Z=0.24105000
      -1: X=0.97989000 Y=0.84626000 Z=0.75895000
W          NPT=  781  R0=.000005000 RMT= 2.40        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.45880000 Y=0.30510000 Z=0.20120000
          MULT= 6          ISPLIT= 8
      -2: X=0.54120000 Y=0.69490000 Z=0.79880000
      -2: X=0.30510000 Y=0.20120000 Z=0.45880000
      -2: X=0.69490000 Y=0.79880000 Z=0.54120000
      -2: X=0.20120000 Y=0.45880000 Z=0.30510000
      -2: X=0.79880000 Y=0.54120000 Z=0.69490000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        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  -3: X=0.15780000 Y=0.10560000 Z=0.74380000
          MULT= 6          ISPLIT= 8
      -3: X=0.84220000 Y=0.89440000 Z=0.25620000
      -3: X=0.10560000 Y=0.74380000 Z=0.15780000
      -3: X=0.89440000 Y=0.25620000 Z=0.84220000
      -3: X=0.74380000 Y=0.15780000 Z=0.10560000
      -3: X=0.25620000 Y=0.84220000 Z=0.89440000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        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=0.33380000 Y=0.53220000 Z=0.04960000
          MULT= 6          ISPLIT= 8
      -4: X=0.66620000 Y=0.46780000 Z=0.95040000
      -4: X=0.53220000 Y=0.04960000 Z=0.33380000
      -4: X=0.46780000 Y=0.95040000 Z=0.66620000
      -4: X=0.04960000 Y=0.33380000 Z=0.53220000
      -4: X=0.95040000 Y=0.66620000 Z=0.46780000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000