P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.778663 22.652147 13.606028 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36470000 Y=0.09550000 Z=0.10760000
          MULT= 8          ISPLIT= 8
      -1: X=0.63530000 Y=0.90450000 Z=0.89240000
      -1: X=0.86470000 Y=0.09550000 Z=0.39240000
      -1: X=0.13530000 Y=0.90450000 Z=0.60760000
      -1: X=0.13530000 Y=0.59550000 Z=0.10760000
      -1: X=0.86470000 Y=0.40450000 Z=0.89240000
      -1: X=0.63530000 Y=0.59550000 Z=0.39240000
      -1: X=0.36470000 Y=0.40450000 Z=0.60760000
Zn         NPT=  781  R0=.000050000 RMT= 1.99        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=0.38810000 Y=0.35750000 Z=0.04450000
          MULT= 8          ISPLIT= 8
      -2: X=0.61190000 Y=0.64250000 Z=0.95550000
      -2: X=0.88810000 Y=0.35750000 Z=0.45550000
      -2: X=0.11190000 Y=0.64250000 Z=0.54450000
      -2: X=0.11190000 Y=0.85750000 Z=0.04450000
      -2: X=0.88810000 Y=0.14250000 Z=0.95550000
      -2: X=0.61190000 Y=0.85750000 Z=0.45550000
      -2: X=0.38810000 Y=0.14250000 Z=0.54450000
Se         NPT=  781  R0=.000050000 RMT= 1.67        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  -3: X=0.29930000 Y=0.26720000 Z=0.46570000
          MULT= 8          ISPLIT= 8
      -3: X=0.70070000 Y=0.73280000 Z=0.53430000
      -3: X=0.79930000 Y=0.26720000 Z=0.03430000
      -3: X=0.20070000 Y=0.73280000 Z=0.96570000
      -3: X=0.20070000 Y=0.76720000 Z=0.46570000
      -3: X=0.79930000 Y=0.23280000 Z=0.53430000
      -3: X=0.70070000 Y=0.76720000 Z=0.03430000
      -3: X=0.29930000 Y=0.23280000 Z=0.96570000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16060000 Y=0.43420000 Z=0.03110000
          MULT= 8          ISPLIT= 8
      -4: X=0.83940000 Y=0.56580000 Z=0.96890000
      -4: X=0.66060000 Y=0.43420000 Z=0.46890000
      -4: X=0.33940000 Y=0.56580000 Z=0.53110000
      -4: X=0.33940000 Y=0.93420000 Z=0.03110000
      -4: X=0.66060000 Y=0.06580000 Z=0.96890000
      -4: X=0.83940000 Y=0.93420000 Z=0.46890000
      -4: X=0.16060000 Y=0.06580000 Z=0.53110000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.01620000 Y=0.09290000 Z=0.15170000
          MULT= 8          ISPLIT= 8
      -5: X=0.98380000 Y=0.90710000 Z=0.84830000
      -5: X=0.51620000 Y=0.09290000 Z=0.34830000
      -5: X=0.48380000 Y=0.90710000 Z=0.65170000
      -5: X=0.48380000 Y=0.59290000 Z=0.15170000
      -5: X=0.51620000 Y=0.40710000 Z=0.84830000
      -5: X=0.98380000 Y=0.59290000 Z=0.34830000
      -5: X=0.01620000 Y=0.40710000 Z=0.65170000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000