CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.797010 27.435044 11.000096 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.35166000 Z=0.34622000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.64834000 Z=0.84622000
Ba         NPT=  781  R0=.000010000 RMT= 2.38        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=0.08522000 Z=0.31110000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.91478000 Z=0.81110000
Mg         NPT=  781  R0=.000100000 RMT= 1.77        Z:  12.00000              
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=0.02437000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.97563000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.86        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=0.16660000 Z=0.57700000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.83340000 Z=0.07700000
F          NPT=  781  R0=.000100000 RMT= 1.86        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=0.19618000 Z=0.11340000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.80382000 Z=0.61340000
F          NPT=  781  R0=.000100000 RMT= 1.86        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=0.57856000 Z=0.30280000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.42144000 Z=0.80280000
F          NPT=  781  R0=.000100000 RMT= 1.86        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000