P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.196508 19.861022 17.026432 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22400000 Y=0.25000000 Z=0.52500000
          MULT= 4          ISPLIT= 8
      -1: X=0.77600000 Y=0.75000000 Z=0.47500000
      -1: X=0.72400000 Y=0.25000000 Z=0.97500000
      -1: X=0.27600000 Y=0.75000000 Z=0.02500000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.20800000 Y=0.25000000 Z=0.74800000
          MULT= 4          ISPLIT= 8
      -2: X=0.79200000 Y=0.75000000 Z=0.25200000
      -2: X=0.70800000 Y=0.25000000 Z=0.75200000
      -2: X=0.29200000 Y=0.75000000 Z=0.24800000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.02200000 Y=0.25000000 Z=0.42600000
          MULT= 4          ISPLIT= 8
      -3: X=0.97800000 Y=0.75000000 Z=0.57400000
      -3: X=0.52200000 Y=0.25000000 Z=0.07400000
      -3: X=0.47800000 Y=0.75000000 Z=0.92600000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33200000 Y=0.08500000 Z=0.45900000
          MULT= 8          ISPLIT= 8
      -4: X=0.66800000 Y=0.91500000 Z=0.54100000
      -4: X=0.83200000 Y=0.08500000 Z=0.04100000
      -4: X=0.16800000 Y=0.91500000 Z=0.95900000
      -4: X=0.16800000 Y=0.58500000 Z=0.95900000
      -4: X=0.83200000 Y=0.41500000 Z=0.04100000
      -4: X=0.66800000 Y=0.58500000 Z=0.54100000
      -4: X=0.33200000 Y=0.41500000 Z=0.45900000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.14800000 Y=0.25000000 Z=0.08500000
          MULT= 4          ISPLIT= 8
      -5: X=0.85200000 Y=0.75000000 Z=0.91500000
      -5: X=0.64800000 Y=0.25000000 Z=0.41500000
      -5: X=0.35200000 Y=0.75000000 Z=0.58500000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.04800000 Y=0.54200000 Z=0.30400000
          MULT= 8          ISPLIT= 8
      -6: X=0.95200000 Y=0.45800000 Z=0.69600000
      -6: X=0.54800000 Y=0.54200000 Z=0.19600000
      -6: X=0.45200000 Y=0.45800000 Z=0.80400000
      -6: X=0.45200000 Y=0.04200000 Z=0.80400000
      -6: X=0.54800000 Y=0.95800000 Z=0.19600000
      -6: X=0.95200000 Y=0.04200000 Z=0.69600000
      -6: X=0.04800000 Y=0.95800000 Z=0.30400000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000