P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.146035 19.331898 17.007535 90.000000 90.000000114.330000                   
ATOM  -1: X=0.20000000 Y=0.27700000 Z=0.62400000
          MULT= 4          ISPLIT= 8
      -1: X=0.80000000 Y=0.72300000 Z=0.37600000
      -1: X=0.30000000 Y=0.22300000 Z=0.12400000
      -1: X=0.70000000 Y=0.77700000 Z=0.87600000
Cs         NPT=  781  R0=.000010000 RMT= 1.84        Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00600000 Y=0.44600000 Z=0.35700000
          MULT= 4          ISPLIT= 8
      -2: X=0.99400000 Y=0.55400000 Z=0.64300000
      -2: X=0.49400000 Y=0.05400000 Z=0.85700000
      -2: X=0.50600000 Y=0.94600000 Z=0.14300000
I          NPT=  781  R0=.000010000 RMT= 1.82        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  -3: X=0.05000000 Y=0.32800000 Z=0.01500000
          MULT= 4          ISPLIT= 8
      -3: X=0.95000000 Y=0.67200000 Z=0.98500000
      -3: X=0.45000000 Y=0.17200000 Z=0.51500000
      -3: X=0.55000000 Y=0.82800000 Z=0.48500000
I          NPT=  781  R0=.000010000 RMT= 1.82        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  -4: X=0.10700000 Y=0.12100000 Z=0.20800000
          MULT= 4          ISPLIT= 8
      -4: X=0.89300000 Y=0.87900000 Z=0.79200000
      -4: X=0.39300000 Y=0.37900000 Z=0.70800000
      -4: X=0.60700000 Y=0.62100000 Z=0.29200000
I          NPT=  781  R0=.000010000 RMT= 1.82        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  -5: X=0.32600000 Y=0.05900000 Z=0.90000000
          MULT= 4          ISPLIT= 8
      -5: X=0.67400000 Y=0.94100000 Z=0.10000000
      -5: X=0.17400000 Y=0.44100000 Z=0.40000000
      -5: X=0.82600000 Y=0.55900000 Z=0.60000000
I          NPT=  781  R0=.000010000 RMT= 1.82        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000