P   LATTICE,NONEQUIV.ATOMS   4  195 P23                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.831850 13.831850 13.831850 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03028000 Y=0.36129000 Z=0.25240000
          MULT=12          ISPLIT= 8
      -1: X=0.96972000 Y=0.63871000 Z=0.25240000
      -1: X=0.03028000 Y=0.63871000 Z=0.74760000
      -1: X=0.25240000 Y=0.03028000 Z=0.36129000
      -1: X=0.96972000 Y=0.36129000 Z=0.74760000
      -1: X=0.74760000 Y=0.96972000 Z=0.36129000
      -1: X=0.25240000 Y=0.96972000 Z=0.63871000
      -1: X=0.74760000 Y=0.03028000 Z=0.63871000
      -1: X=0.36129000 Y=0.25240000 Z=0.03028000
      -1: X=0.63871000 Y=0.74760000 Z=0.03028000
      -1: X=0.36129000 Y=0.74760000 Z=0.96972000
      -1: X=0.63871000 Y=0.25240000 Z=0.96972000
B          NPT=  781  R0=.000100000 RMT= 1.26        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.27601000 Y=0.29962000 Z=0.50010000
          MULT=12          ISPLIT= 8
      -2: X=0.72399000 Y=0.70038000 Z=0.50010000
      -2: X=0.27601000 Y=0.70038000 Z=0.49990000
      -2: X=0.50010000 Y=0.27601000 Z=0.29962000
      -2: X=0.72399000 Y=0.29962000 Z=0.49990000
      -2: X=0.49990000 Y=0.72399000 Z=0.29962000
      -2: X=0.50010000 Y=0.72399000 Z=0.70038000
      -2: X=0.49990000 Y=0.27601000 Z=0.70038000
      -2: X=0.29962000 Y=0.50010000 Z=0.27601000
      -2: X=0.70038000 Y=0.49990000 Z=0.27601000
      -2: X=0.29962000 Y=0.49990000 Z=0.72399000
      -2: X=0.70038000 Y=0.50010000 Z=0.72399000
B          NPT=  781  R0=.000100000 RMT= 1.26        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12208000 Y=0.24043000 Z=0.57883000
          MULT=12          ISPLIT= 8
      -3: X=0.87792000 Y=0.75957000 Z=0.57883000
      -3: X=0.12208000 Y=0.75957000 Z=0.42117000
      -3: X=0.57883000 Y=0.12208000 Z=0.24043000
      -3: X=0.87792000 Y=0.24043000 Z=0.42117000
      -3: X=0.42117000 Y=0.87792000 Z=0.24043000
      -3: X=0.57883000 Y=0.87792000 Z=0.75957000
      -3: X=0.42117000 Y=0.12208000 Z=0.75957000
      -3: X=0.24043000 Y=0.57883000 Z=0.12208000
      -3: X=0.75957000 Y=0.42117000 Z=0.12208000
      -3: X=0.24043000 Y=0.42117000 Z=0.87792000
      -3: X=0.75957000 Y=0.57883000 Z=0.87792000
B          NPT=  781  R0=.000100000 RMT= 1.26        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05065000 Y=0.13087000 Z=0.27861000
          MULT=12          ISPLIT= 8
      -4: X=0.94935000 Y=0.86913000 Z=0.27861000
      -4: X=0.05065000 Y=0.86913000 Z=0.72139000
      -4: X=0.27861000 Y=0.05065000 Z=0.13087000
      -4: X=0.94935000 Y=0.13087000 Z=0.72139000
      -4: X=0.72139000 Y=0.94935000 Z=0.13087000
      -4: X=0.27861000 Y=0.94935000 Z=0.86913000
      -4: X=0.72139000 Y=0.05065000 Z=0.86913000
      -4: X=0.13087000 Y=0.27861000 Z=0.05065000
      -4: X=0.86913000 Y=0.72139000 Z=0.05065000
      -4: X=0.13087000 Y=0.72139000 Z=0.94935000
      -4: X=0.86913000 Y=0.27861000 Z=0.94935000
B          NPT=  781  R0=.000100000 RMT= 1.26        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000