R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 16.279990 16.279990 19.492523 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 1.93        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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 1.93        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  -3: X=0.43070000 Y=0.57230000 Z=0.20030000
          MULT= 6          ISPLIT= 8
      -3: X=0.56930000 Y=0.42770000 Z=0.79970000
      -3: X=0.57230000 Y=0.20030000 Z=0.43070000
      -3: X=0.42770000 Y=0.79970000 Z=0.56930000
      -3: X=0.20030000 Y=0.43070000 Z=0.57230000
      -3: X=0.79970000 Y=0.56930000 Z=0.42770000
O          NPT=  781  R0=.000100000 RMT= 1.66        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  -4: X=0.30080000 Y=0.09010000 Z=0.95560000
          MULT= 6          ISPLIT= 8
      -4: X=0.69920000 Y=0.90990000 Z=0.04440000
      -4: X=0.09010000 Y=0.95560000 Z=0.30080000
      -4: X=0.90990000 Y=0.04440000 Z=0.69920000
      -4: X=0.95560000 Y=0.30080000 Z=0.09010000
      -4: X=0.04440000 Y=0.69920000 Z=0.90990000
O          NPT=  781  R0=.000100000 RMT= 1.66        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  -5: X=0.25150000 Y=0.43681000 Z=0.94640000
          MULT= 6          ISPLIT= 8
      -5: X=0.74850000 Y=0.56319000 Z=0.05360000
      -5: X=0.43681000 Y=0.94640000 Z=0.25150000
      -5: X=0.56319000 Y=0.05360000 Z=0.74850000
      -5: X=0.94640000 Y=0.25150000 Z=0.43681000
      -5: X=0.05360000 Y=0.74850000 Z=0.56319000
Mg         NPT=  781  R0=.000100000 RMT= 1.90        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000