P   LATTICE,NONEQUIV.ATOMS   8    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.076905 11.546227 20.824782 90.000000 90.000000 99.100000                   
ATOM  -1: X=0.19100000 Y=0.00700000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.80900000 Y=0.99300000 Z=0.25000000
I          NPT=  781  R0=.000010000 RMT= 2.28        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.47800000 Y=0.40500000 Z=0.09300000
          MULT= 2          ISPLIT= 8
      -2: X=0.52200000 Y=0.59500000 Z=0.59300000
Al         NPT=  781  R0=.000100000 RMT= 1.92        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00700000 Y=0.73400000 Z=0.21100000
          MULT= 2          ISPLIT= 8
      -3: X=0.99300000 Y=0.26600000 Z=0.71100000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01800000 Y=0.20800000 Z=0.37500000
          MULT= 2          ISPLIT= 8
      -4: X=0.98200000 Y=0.79200000 Z=0.87500000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19200000 Y=0.30600000 Z=0.04500000
          MULT= 2          ISPLIT= 8
      -5: X=0.80800000 Y=0.69400000 Z=0.54500000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.48400000 Y=0.23000000 Z=0.59100000
          MULT= 2          ISPLIT= 8
      -6: X=0.51600000 Y=0.77000000 Z=0.09100000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.32800000 Y=0.69100000 Z=0.46700000
          MULT= 2          ISPLIT= 8
      -7: X=0.67200000 Y=0.30900000 Z=0.96700000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.54300000 Y=0.30900000 Z=0.26900000
          MULT= 2          ISPLIT= 8
      -8: X=0.45700000 Y=0.69100000 Z=0.76900000
Cl         NPT=  781  R0=.000100000 RMT= 1.92        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000