P   LATTICE,NONEQUIV.ATOMS   6   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.281426 28.799426  7.700634 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15300000 Y=0.03300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84700000 Y=0.96700000 Z=0.00000000
      -1: X=0.34700000 Y=0.53300000 Z=0.50000000
      -1: X=0.65300000 Y=0.46700000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15300000 Y=0.36600000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84700000 Y=0.63400000 Z=0.00000000
      -2: X=0.34700000 Y=0.86600000 Z=0.50000000
      -2: X=0.65300000 Y=0.13400000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15300000 Y=0.70000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.84700000 Y=0.30000000 Z=0.00000000
      -3: X=0.34700000 Y=0.20000000 Z=0.50000000
      -3: X=0.65300000 Y=0.80000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.38300000 Y=0.34100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.61700000 Y=0.65900000 Z=0.00000000
      -4: X=0.11700000 Y=0.84100000 Z=0.50000000
      -4: X=0.88300000 Y=0.15900000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08100000 Y=0.19700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.91900000 Y=0.80300000 Z=0.00000000
      -5: X=0.41900000 Y=0.69700000 Z=0.50000000
      -5: X=0.58100000 Y=0.30300000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.06        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08100000 Y=0.53000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.91900000 Y=0.47000000 Z=0.00000000
      -6: X=0.41900000 Y=0.03000000 Z=0.50000000
      -6: X=0.58100000 Y=0.97000000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.06        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000