CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 27.905586 22.243966 22.274202 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12609000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.87391000 Y=0.00000000 Z=0.00000000
      -1: X=0.12609000 Y=0.50000000 Z=0.50000000
      -1: X=0.87391000 Y=0.50000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.14345000 Z=0.06566000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.85655000 Z=0.93434000
      -2: X=0.00000000 Y=0.64345000 Z=0.43434000
      -2: X=0.00000000 Y=0.35655000 Z=0.56566000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.43397000 Z=0.35649000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.56603000 Z=0.64351000
      -3: X=0.00000000 Y=0.93397000 Z=0.14351000
      -3: X=0.00000000 Y=0.06603000 Z=0.85649000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.12383000 Y=0.07686000 Z=0.20684000
          MULT= 8          ISPLIT= 8
      -4: X=0.87617000 Y=0.92314000 Z=0.79316000
      -4: X=0.12383000 Y=0.57686000 Z=0.29316000
      -4: X=0.87617000 Y=0.42314000 Z=0.70684000
      -4: X=0.87617000 Y=0.07686000 Z=0.20684000
      -4: X=0.12383000 Y=0.92314000 Z=0.79316000
      -4: X=0.87617000 Y=0.57686000 Z=0.29316000
      -4: X=0.12383000 Y=0.42314000 Z=0.70684000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37605000 Y=0.29276000 Z=0.07687000
          MULT= 8          ISPLIT= 8
      -5: X=0.62395000 Y=0.70724000 Z=0.92313000
      -5: X=0.37605000 Y=0.79276000 Z=0.42313000
      -5: X=0.62395000 Y=0.20724000 Z=0.57687000
      -5: X=0.62395000 Y=0.29276000 Z=0.07687000
      -5: X=0.37605000 Y=0.70724000 Z=0.92313000
      -5: X=0.62395000 Y=0.79276000 Z=0.42313000
      -5: X=0.37605000 Y=0.20724000 Z=0.57687000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29885000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70115000 Y=0.00000000 Z=0.00000000
      -6: X=0.29885000 Y=0.50000000 Z=0.50000000
      -6: X=0.70115000 Y=0.50000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
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=0.35400000 Z=0.14623000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.64600000 Z=0.85377000
      -7: X=0.00000000 Y=0.85400000 Z=0.35377000
      -7: X=0.00000000 Y=0.14600000 Z=0.64623000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000