P   LATTICE,NONEQUIV.ATOMS   7   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.911279 41.691138 10.393494 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.70456000 Y=0.10737000 Z=0.19594000
          MULT= 8          ISPLIT= 8
      -1: X=0.29544000 Y=0.89263000 Z=0.80406000
      -1: X=0.20456000 Y=0.10737000 Z=0.80406000
      -1: X=0.79544000 Y=0.89263000 Z=0.19594000
      -1: X=0.29544000 Y=0.60737000 Z=0.69594000
      -1: X=0.70456000 Y=0.39263000 Z=0.30406000
      -1: X=0.79544000 Y=0.60737000 Z=0.30406000
      -1: X=0.20456000 Y=0.39263000 Z=0.69594000
Te         NPT=  781  R0=.000010000 RMT= 1.87        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.32118000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.67882000
      -2: X=0.75000000 Y=0.50000000 Z=0.82118000
      -2: X=0.25000000 Y=0.50000000 Z=0.17882000
Sc         NPT=  781  R0=.000050000 RMT= 1.94        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43098000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.56902000 Y=0.75000000 Z=0.75000000
      -3: X=0.93098000 Y=0.25000000 Z=0.75000000
      -3: X=0.06902000 Y=0.75000000 Z=0.25000000
Sc         NPT=  781  R0=.000050000 RMT= 1.94        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.18630000 Y=0.23217000 Z=0.50180000
          MULT= 8          ISPLIT= 8
      -4: X=0.81370000 Y=0.76783000 Z=0.49820000
      -4: X=0.68630000 Y=0.23217000 Z=0.49820000
      -4: X=0.31370000 Y=0.76783000 Z=0.50180000
      -4: X=0.81370000 Y=0.73217000 Z=0.00180000
      -4: X=0.18630000 Y=0.26783000 Z=0.99820000
      -4: X=0.31370000 Y=0.73217000 Z=0.99820000
      -4: X=0.68630000 Y=0.26783000 Z=0.00180000
F          NPT=  781  R0=.000100000 RMT= 1.85        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05630000 Y=0.05045000 Z=0.59310000
          MULT= 8          ISPLIT= 8
      -5: X=0.94370000 Y=0.94955000 Z=0.40690000
      -5: X=0.55630000 Y=0.05045000 Z=0.40690000
      -5: X=0.44370000 Y=0.94955000 Z=0.59310000
      -5: X=0.94370000 Y=0.55045000 Z=0.09310000
      -5: X=0.05630000 Y=0.44955000 Z=0.90690000
      -5: X=0.44370000 Y=0.55045000 Z=0.90690000
      -5: X=0.55630000 Y=0.44955000 Z=0.09310000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -6: X=0.13380000 Y=0.06069000 Z=0.07420000
          MULT= 8          ISPLIT= 8
      -6: X=0.86620000 Y=0.93931000 Z=0.92580000
      -6: X=0.63380000 Y=0.06069000 Z=0.92580000
      -6: X=0.36620000 Y=0.93931000 Z=0.07420000
      -6: X=0.86620000 Y=0.56069000 Z=0.57420000
      -6: X=0.13380000 Y=0.43931000 Z=0.42580000
      -6: X=0.36620000 Y=0.56069000 Z=0.42580000
      -6: X=0.63380000 Y=0.43931000 Z=0.57420000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -7: X=0.45320000 Y=0.16016000 Z=0.15280000
          MULT= 8          ISPLIT= 8
      -7: X=0.54680000 Y=0.83984000 Z=0.84720000
      -7: X=0.95320000 Y=0.16016000 Z=0.84720000
      -7: X=0.04680000 Y=0.83984000 Z=0.15280000
      -7: X=0.54680000 Y=0.66016000 Z=0.65280000
      -7: X=0.45320000 Y=0.33984000 Z=0.34720000
      -7: X=0.04680000 Y=0.66016000 Z=0.34720000
      -7: X=0.95320000 Y=0.33984000 Z=0.65280000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000