P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 24.944385 14.437508 11.791891 90.000000 90.000000 90.000000
ATOM  -1: X=0.40400000 Y=0.25000000 Z=0.08000000
          MULT= 4          ISPLIT=15
      -1: X=0.59600000 Y=0.75000000 Z=0.92000000
      -1: X=0.90400000 Y=0.25000000 Z=0.42000000
      -1: X=0.09600000 Y=0.75000000 Z=0.58000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
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= 4          ISPLIT=15
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23400000 Y=0.25000000 Z=0.50300000
          MULT= 4          ISPLIT=15
      -3: X=0.76600000 Y=0.75000000 Z=0.49700000
      -3: X=0.73400000 Y=0.25000000 Z=0.99700000
      -3: X=0.26600000 Y=0.75000000 Z=0.00300000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.40900000 Y=0.25000000 Z=0.72100000
          MULT= 4          ISPLIT=15
      -4: X=0.59100000 Y=0.75000000 Z=0.27900000
      -4: X=0.90900000 Y=0.25000000 Z=0.77900000
      -4: X=0.09100000 Y=0.75000000 Z=0.22100000
S          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.07600000 Y=0.25000000 Z=0.25500000
          MULT= 4          ISPLIT=15
      -5: X=0.92400000 Y=0.75000000 Z=0.74500000
      -5: X=0.57600000 Y=0.25000000 Z=0.24500000
      -5: X=0.42400000 Y=0.75000000 Z=0.75500000
S          NPT=  781  R0=.000100000 RMT=   2.00000   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  -6: X=0.33400000 Y=0.00800000 Z=0.26100000
          MULT= 8          ISPLIT=15
      -6: X=0.66600000 Y=0.99200000 Z=0.73900000
      -6: X=0.83400000 Y=0.00800000 Z=0.23900000
      -6: X=0.16600000 Y=0.99200000 Z=0.76100000
      -6: X=0.16600000 Y=0.50800000 Z=0.76100000
      -6: X=0.83400000 Y=0.49200000 Z=0.23900000
      -6: X=0.66600000 Y=0.50800000 Z=0.73900000
      -6: X=0.33400000 Y=0.49200000 Z=0.26100000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000