CXY LATTICE,NONEQUIV.ATOMS   4   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 31.219410 15.764473 15.914518 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14705000 Y=0.33113000 Z=0.16385000
          MULT= 8          ISPLIT= 8
      -1: X=0.85295000 Y=0.66887000 Z=0.83615000
      -1: X=0.14705000 Y=0.83113000 Z=0.33615000
      -1: X=0.85295000 Y=0.16887000 Z=0.66385000
      -1: X=0.85295000 Y=0.33113000 Z=0.16385000
      -1: X=0.14705000 Y=0.66887000 Z=0.83615000
      -1: X=0.85295000 Y=0.83113000 Z=0.33615000
      -1: X=0.14705000 Y=0.16887000 Z=0.66385000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.19738000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80262000 Y=0.00000000 Z=0.00000000
      -3: X=0.19738000 Y=0.50000000 Z=0.50000000
      -3: X=0.80262000 Y=0.50000000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 2.18        Z:  15.00000              
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=0.09860000 Z=0.40250000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.90140000 Z=0.59750000
      -4: X=0.00000000 Y=0.59860000 Z=0.09750000
      -4: X=0.00000000 Y=0.40140000 Z=0.90250000
P          NPT=  781  R0=.000100000 RMT= 2.18        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000