CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.025229 14.813374  9.797096 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34269000 Z=0.14888000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.65731000 Z=0.64888000
C          NPT=  781  R0=.000100000 RMT= 1.38        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.21592000 Y=0.45173000 Z=0.20610000
          MULT= 4          ISPLIT= 8
      -2: X=0.78408000 Y=0.54827000 Z=0.70610000
      -2: X=0.78408000 Y=0.45173000 Z=0.20610000
      -2: X=0.21592000 Y=0.54827000 Z=0.70610000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.18282000 Z=0.32628000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.81718000 Z=0.82628000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.71242000 Z=0.36158000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.28758000 Z=0.86158000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.26084000 Y=0.20876000 Z=0.07516000
          MULT= 4          ISPLIT= 8
      -5: X=0.73916000 Y=0.79124000 Z=0.57516000
      -5: X=0.73916000 Y=0.20876000 Z=0.07516000
      -5: X=0.26084000 Y=0.79124000 Z=0.57516000
Li         NPT=  781  R0=.000100000 RMT= 1.64        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.43034000 Z=0.48387000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.56966000 Z=0.98387000
Li         NPT=  781  R0=.000100000 RMT= 1.64        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.03539000 Z=0.00229000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.96461000 Z=0.50229000
Li         NPT=  781  R0=.000100000 RMT= 1.64        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000