P   LATTICE,NONEQUIV.ATOMS   5   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.462744 30.636240  8.137161 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.72440000 Y=0.19610000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.27560000 Y=0.80390000 Z=0.00000000
      -1: X=0.77560000 Y=0.69610000 Z=0.50000000
      -1: X=0.22440000 Y=0.30390000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13810000 Y=0.58790000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.86190000 Y=0.41210000 Z=0.00000000
      -3: X=0.36190000 Y=0.08790000 Z=0.50000000
      -3: X=0.63810000 Y=0.91210000 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=0.25670000 Y=0.42940000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74330000 Y=0.57060000 Z=0.00000000
      -4: X=0.24330000 Y=0.92940000 Z=0.50000000
      -4: X=0.75670000 Y=0.07060000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.40        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.23020000 Y=0.17210000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.76980000 Y=0.82790000 Z=0.00000000
      -5: X=0.26980000 Y=0.67210000 Z=0.50000000
      -5: X=0.73020000 Y=0.32790000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.40        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000