P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.358905 23.358905 11.678508 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15000000 Y=0.66100000 Z=0.22400000
          MULT= 8          ISPLIT= 8
      -1: X=0.85000000 Y=0.33900000 Z=0.77600000
      -1: X=0.33900000 Y=0.65000000 Z=0.72400000
      -1: X=0.66100000 Y=0.35000000 Z=0.27600000
      -1: X=0.35000000 Y=0.83900000 Z=0.22400000
      -1: X=0.65000000 Y=0.16100000 Z=0.77600000
      -1: X=0.16100000 Y=0.85000000 Z=0.72400000
      -1: X=0.83900000 Y=0.15000000 Z=0.27600000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.53000000 Y=0.07300000 Z=0.25700000
          MULT= 8          ISPLIT= 8
      -2: X=0.47000000 Y=0.92700000 Z=0.74300000
      -2: X=0.92700000 Y=0.03000000 Z=0.75700000
      -2: X=0.07300000 Y=0.97000000 Z=0.24300000
      -2: X=0.97000000 Y=0.42700000 Z=0.25700000
      -2: X=0.03000000 Y=0.57300000 Z=0.74300000
      -2: X=0.57300000 Y=0.47000000 Z=0.75700000
      -2: X=0.42700000 Y=0.53000000 Z=0.24300000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11000000 Y=0.22300000 Z=0.51600000
          MULT= 8          ISPLIT= 8
      -3: X=0.89000000 Y=0.77700000 Z=0.48400000
      -3: X=0.77700000 Y=0.61000000 Z=0.01600000
      -3: X=0.22300000 Y=0.39000000 Z=0.98400000
      -3: X=0.39000000 Y=0.27700000 Z=0.51600000
      -3: X=0.61000000 Y=0.72300000 Z=0.48400000
      -3: X=0.72300000 Y=0.89000000 Z=0.01600000
      -3: X=0.27700000 Y=0.11000000 Z=0.98400000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04900000 Y=0.21000000 Z=0.01200000
          MULT= 8          ISPLIT= 8
      -4: X=0.95100000 Y=0.79000000 Z=0.98800000
      -4: X=0.79000000 Y=0.54900000 Z=0.51200000
      -4: X=0.21000000 Y=0.45100000 Z=0.48800000
      -4: X=0.45100000 Y=0.29000000 Z=0.01200000
      -4: X=0.54900000 Y=0.71000000 Z=0.98800000
      -4: X=0.71000000 Y=0.95100000 Z=0.51200000
      -4: X=0.29000000 Y=0.04900000 Z=0.48800000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000