P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.466954 22.982849  8.099366 90.000000 90.000000117.500000                   
ATOM  -1: X=0.09556000 Y=0.18066000 Z=0.13641000
          MULT= 4          ISPLIT= 8
      -1: X=0.90444000 Y=0.81934000 Z=0.86359000
      -1: X=0.40444000 Y=0.31934000 Z=0.63641000
      -1: X=0.59556000 Y=0.68066000 Z=0.36359000
I          NPT=  781  R0=.000010000 RMT= 2.38        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=0.13609000 Y=0.70216000 Z=0.36537000
          MULT= 4          ISPLIT= 8
      -2: X=0.86391000 Y=0.29784000 Z=0.63463000
      -2: X=0.36391000 Y=0.79784000 Z=0.86537000
      -2: X=0.63609000 Y=0.20216000 Z=0.13463000
I          NPT=  781  R0=.000010000 RMT= 2.38        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=0.38019000 Y=0.08722000 Z=0.14960000
          MULT= 4          ISPLIT= 8
      -3: X=0.61981000 Y=0.91278000 Z=0.85040000
      -3: X=0.11981000 Y=0.41278000 Z=0.64960000
      -3: X=0.88019000 Y=0.58722000 Z=0.35040000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        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=0.15740000 Y=0.53545000 Z=0.14540000
          MULT= 4          ISPLIT= 8
      -4: X=0.84260000 Y=0.46455000 Z=0.85460000
      -4: X=0.34260000 Y=0.96455000 Z=0.64540000
      -4: X=0.65740000 Y=0.03545000 Z=0.35460000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000