CXY LATTICE,NONEQUIV.ATOMS   4   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.486906 24.290729 11.560400 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.39205000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.60795000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.09778000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.90222000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.00        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.69394000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.30606000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.97        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000