CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.978615 12.156608 12.967301 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17916000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.82084000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.77        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.43454000 Y=0.13526000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.56546000 Y=0.86474000 Z=0.75000000
      -2: X=0.56546000 Y=0.13526000 Z=0.25000000
      -2: X=0.43454000 Y=0.86474000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.77        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19537000 Y=0.27423000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80463000 Y=0.72577000 Z=0.75000000
      -3: X=0.80463000 Y=0.27423000 Z=0.25000000
      -3: X=0.19537000 Y=0.72577000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.77        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08731000 Y=0.35940000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.91269000 Y=0.64060000 Z=0.75000000
      -4: X=0.91269000 Y=0.35940000 Z=0.25000000
      -4: X=0.08731000 Y=0.64060000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.61        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22880000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.77120000 Y=0.00000000 Z=0.00000000
      -5: X=0.22880000 Y=0.00000000 Z=0.50000000
      -5: X=0.77120000 Y=0.00000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.19        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000