P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.186476 13.301782 16.317785 90.000000 90.000000117.346000                   
ATOM  -1: X=0.08550000 Y=0.48930000 Z=0.24740000
          MULT= 4          ISPLIT= 8
      -1: X=0.91450000 Y=0.51070000 Z=0.75260000
      -1: X=0.41450000 Y=0.01070000 Z=0.74740000
      -1: X=0.58550000 Y=0.98930000 Z=0.25260000
Te         NPT=  781  R0=.000010000 RMT= 2.29        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=0.17310000 Y=0.19570000 Z=0.35300000
          MULT= 4          ISPLIT= 8
      -2: X=0.82690000 Y=0.80430000 Z=0.64700000
      -2: X=0.32690000 Y=0.30430000 Z=0.85300000
      -2: X=0.67310000 Y=0.69570000 Z=0.14700000
Te         NPT=  781  R0=.000010000 RMT= 2.29        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  -3: X=0.14910000 Y=0.20340000 Z=0.66020000
          MULT= 4          ISPLIT= 8
      -3: X=0.85090000 Y=0.79660000 Z=0.33980000
      -3: X=0.35090000 Y=0.29660000 Z=0.16020000
      -3: X=0.64910000 Y=0.70340000 Z=0.83980000
Te         NPT=  781  R0=.000010000 RMT= 2.29        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  -4: X=0.01600000 Y=0.25790000 Z=0.01120000
          MULT= 4          ISPLIT= 8
      -4: X=0.98400000 Y=0.74210000 Z=0.98880000
      -4: X=0.48400000 Y=0.24210000 Z=0.51120000
      -4: X=0.51600000 Y=0.75790000 Z=0.48880000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        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=0.16710000 Y=0.71990000 Z=0.48830000
          MULT= 4          ISPLIT= 8
      -5: X=0.83290000 Y=0.28010000 Z=0.51170000
      -5: X=0.33290000 Y=0.78010000 Z=0.98830000
      -5: X=0.66710000 Y=0.21990000 Z=0.01170000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000