CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.955671 22.986062 10.185246 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.40700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.59300000 Z=0.75000000
Bi         NPT=  781  R0=.000005000 RMT= 2.29        Z:  83.00000              
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=0.80130000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.19870000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 1.60        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.19500000 Y=0.09200000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80500000 Y=0.90800000 Z=0.75000000
      -3: X=0.80500000 Y=0.09200000 Z=0.25000000
      -3: X=0.19500000 Y=0.90800000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 1.85        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.32900000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.67100000 Y=0.00000000 Z=0.00000000
      -4: X=0.32900000 Y=0.00000000 Z=0.50000000
      -4: X=0.67100000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.45        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=0.00000000 Y=0.11800000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.88200000 Z=0.99100000
      -5: X=0.00000000 Y=0.11800000 Z=0.49100000
      -5: X=0.00000000 Y=0.88200000 Z=0.50900000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -6: X=0.32700000 Y=0.22900000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.67300000 Y=0.77100000 Z=0.75000000
      -6: X=0.67300000 Y=0.22900000 Z=0.25000000
      -6: X=0.32700000 Y=0.77100000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.45        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000