CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.907181 27.393470 11.008222 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.85232000 Z=0.46138000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.14768000 Z=0.96138000
Ba         NPT=  781  R0=.000010000 RMT= 2.40        Z:  56.00000              
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=0.41301000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.58699000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 1.93        Z:  30.00000              
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=0.30200000 Z=0.19970000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.69800000 Z=0.69970000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
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=0.66690000 Z=0.22920000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.33310000 Z=0.72920000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.47090000 Z=0.32560000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.52910000 Z=0.82560000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.07750000 Z=0.51260000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.92250000 Z=0.01260000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000