CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.329004 13.001316 29.901137 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15502000 Y=0.36930000 Z=0.08573000
          MULT= 8          ISPLIT= 8
      -1: X=0.84498000 Y=0.63070000 Z=0.91427000
      -1: X=0.15502000 Y=0.36930000 Z=0.41427000
      -1: X=0.84498000 Y=0.63070000 Z=0.58573000
      -1: X=0.84498000 Y=0.36930000 Z=0.08573000
      -1: X=0.15502000 Y=0.63070000 Z=0.91427000
      -1: X=0.84498000 Y=0.36930000 Z=0.41427000
      -1: X=0.15502000 Y=0.63070000 Z=0.58573000
Te         NPT=  781  R0=.000010000 RMT= 1.91        Z:  52.00000              
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=0.07160000 Z=0.64019000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.92840000 Z=0.35981000
      -2: X=0.00000000 Y=0.07160000 Z=0.85981000
      -2: X=0.00000000 Y=0.92840000 Z=0.14019000
Te         NPT=  781  R0=.000010000 RMT= 1.91        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.32900000 Y=0.18990000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.67100000 Y=0.81010000 Z=0.75000000
      -3: X=0.67100000 Y=0.18990000 Z=0.25000000
      -3: X=0.32900000 Y=0.81010000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.42300000 Z=0.11360000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.57700000 Z=0.88640000
      -4: X=0.00000000 Y=0.42300000 Z=0.38640000
      -4: X=0.00000000 Y=0.57700000 Z=0.61360000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.35020000 Y=0.16400000 Z=0.03460000
          MULT= 8          ISPLIT= 8
      -5: X=0.64980000 Y=0.83600000 Z=0.96540000
      -5: X=0.35020000 Y=0.16400000 Z=0.46540000
      -5: X=0.64980000 Y=0.83600000 Z=0.53460000
      -5: X=0.64980000 Y=0.16400000 Z=0.03460000
      -5: X=0.35020000 Y=0.83600000 Z=0.96540000
      -5: X=0.64980000 Y=0.16400000 Z=0.46540000
      -5: X=0.35020000 Y=0.83600000 Z=0.53460000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11960000 Y=0.08000000 Z=0.09560000
          MULT= 8          ISPLIT= 8
      -6: X=0.88040000 Y=0.92000000 Z=0.90440000
      -6: X=0.11960000 Y=0.08000000 Z=0.40440000
      -6: X=0.88040000 Y=0.92000000 Z=0.59560000
      -6: X=0.88040000 Y=0.08000000 Z=0.09560000
      -6: X=0.11960000 Y=0.92000000 Z=0.90440000
      -6: X=0.88040000 Y=0.08000000 Z=0.40440000
      -6: X=0.11960000 Y=0.92000000 Z=0.59560000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.06200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.93800000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000