P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.693386 19.012535 11.734254 90.000000 90.000000112.973000                   
ATOM  -1: X=0.15026000 Y=0.39676000 Z=0.05111000
          MULT= 4          ISPLIT= 8
      -1: X=0.84974000 Y=0.60324000 Z=0.94889000
      -1: X=0.34974000 Y=0.10324000 Z=0.55111000
      -1: X=0.65026000 Y=0.89676000 Z=0.44889000
K          NPT=  781  R0=.000050000 RMT= 2.22        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  -2: X=0.10618000 Y=0.72679000 Z=0.33000000
          MULT= 4          ISPLIT= 8
      -2: X=0.89382000 Y=0.27321000 Z=0.67000000
      -2: X=0.39382000 Y=0.77321000 Z=0.83000000
      -2: X=0.60618000 Y=0.22679000 Z=0.17000000
K          NPT=  781  R0=.000050000 RMT= 2.22        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  -3: X=0.40999000 Y=0.03563000 Z=0.22215000
          MULT= 4          ISPLIT= 8
      -3: X=0.59001000 Y=0.96437000 Z=0.77785000
      -3: X=0.09001000 Y=0.46437000 Z=0.72215000
      -3: X=0.90999000 Y=0.53563000 Z=0.27785000
K          NPT=  781  R0=.000050000 RMT= 2.22        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=0.15989000 Y=0.28554000 Z=0.56926000
          MULT= 4          ISPLIT= 8
      -4: X=0.84011000 Y=0.71446000 Z=0.43074000
      -4: X=0.34011000 Y=0.21446000 Z=0.06926000
      -4: X=0.65989000 Y=0.78554000 Z=0.93074000
S          NPT=  781  R0=.000100000 RMT= 1.78        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=0.39284000 Y=0.34291000 Z=0.32366000
          MULT= 4          ISPLIT= 8
      -5: X=0.60716000 Y=0.65709000 Z=0.67634000
      -5: X=0.10716000 Y=0.15709000 Z=0.82366000
      -5: X=0.89284000 Y=0.84291000 Z=0.17634000
S          NPT=  781  R0=.000100000 RMT= 1.78        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=0.16827000 Y=0.07496000 Z=0.19780000
          MULT= 4          ISPLIT= 8
      -6: X=0.83173000 Y=0.92504000 Z=0.80220000
      -6: X=0.33173000 Y=0.42504000 Z=0.69780000
      -6: X=0.66827000 Y=0.57496000 Z=0.30220000
S          NPT=  781  R0=.000100000 RMT= 1.78        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  -7: X=0.24070000 Y=0.23120000 Z=0.36600000
          MULT= 4          ISPLIT= 8
      -7: X=0.75930000 Y=0.76880000 Z=0.63400000
      -7: X=0.25930000 Y=0.26880000 Z=0.86600000
      -7: X=0.74070000 Y=0.73120000 Z=0.13400000
B          NPT=  781  R0=.000100000 RMT= 1.61        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000