P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.229399 19.364024 12.487310 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29603000 Y=0.25000000 Z=0.27640000
          MULT= 4          ISPLIT= 8
      -1: X=0.70397000 Y=0.75000000 Z=0.72360000
      -1: X=0.79603000 Y=0.25000000 Z=0.22360000
      -1: X=0.20397000 Y=0.75000000 Z=0.77640000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25168000 Y=0.59169000 Z=0.33774000
          MULT= 8          ISPLIT= 8
      -2: X=0.74832000 Y=0.40831000 Z=0.66226000
      -2: X=0.75168000 Y=0.59169000 Z=0.16226000
      -2: X=0.24832000 Y=0.40831000 Z=0.83774000
      -2: X=0.24832000 Y=0.09169000 Z=0.83774000
      -2: X=0.75168000 Y=0.90831000 Z=0.16226000
      -2: X=0.74832000 Y=0.09169000 Z=0.66226000
      -2: X=0.25168000 Y=0.90831000 Z=0.33774000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
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
ATOM  -4: X=0.03150000 Y=0.25000000 Z=0.52160000
          MULT= 4          ISPLIT= 8
      -4: X=0.96850000 Y=0.75000000 Z=0.47840000
      -4: X=0.53150000 Y=0.25000000 Z=0.97840000
      -4: X=0.46850000 Y=0.75000000 Z=0.02160000
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  -5: X=0.35350000 Y=0.25000000 Z=0.63070000
          MULT= 4          ISPLIT= 8
      -5: X=0.64650000 Y=0.75000000 Z=0.36930000
      -5: X=0.85350000 Y=0.25000000 Z=0.86930000
      -5: X=0.14650000 Y=0.75000000 Z=0.13070000
S          NPT=  781  R0=.000100000 RMT= 2.09        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  -6: X=0.14170000 Y=0.25000000 Z=0.06790000
          MULT= 4          ISPLIT= 8
      -6: X=0.85830000 Y=0.75000000 Z=0.93210000
      -6: X=0.64170000 Y=0.25000000 Z=0.43210000
      -6: X=0.35830000 Y=0.75000000 Z=0.56790000
S          NPT=  781  R0=.000100000 RMT= 2.09        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  -7: X=0.36520000 Y=0.03280000 Z=0.11810000
          MULT= 8          ISPLIT= 8
      -7: X=0.63480000 Y=0.96720000 Z=0.88190000
      -7: X=0.86520000 Y=0.03280000 Z=0.38190000
      -7: X=0.13480000 Y=0.96720000 Z=0.61810000
      -7: X=0.13480000 Y=0.53280000 Z=0.61810000
      -7: X=0.86520000 Y=0.46720000 Z=0.38190000
      -7: X=0.63480000 Y=0.53280000 Z=0.88190000
      -7: X=0.36520000 Y=0.46720000 Z=0.11810000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000