R   LATTICE,NONEQUIV.ATOMS   7  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.960147 17.960147 14.779735 90.000000 90.000000120.000000                   
ATOM  -1: X=0.95900000 Y=0.04100000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.04100000 Y=0.50000000 Z=0.95900000
      -1: X=0.50000000 Y=0.95900000 Z=0.04100000
Mg         NPT=  781  R0=.000100000 RMT= 1.96        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.21        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.14        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53900000 Y=0.46100000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -4: X=0.46100000 Y=0.00000000 Z=0.53900000
      -4: X=0.00000000 Y=0.53900000 Z=0.46100000
C          NPT=  781  R0=.000100000 RMT= 1.14        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.13500000 Y=0.86500000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.86500000 Y=0.00000000 Z=0.13500000
      -5: X=0.00000000 Y=0.13500000 Z=0.86500000
O          NPT=  781  R0=.000100000 RMT= 1.27        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.40400000 Y=0.59600000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -6: X=0.59600000 Y=0.00000000 Z=0.40400000
      -6: X=0.00000000 Y=0.40400000 Z=0.59600000
O          NPT=  781  R0=.000100000 RMT= 1.27        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.53300000 Y=0.31999000 Z=0.12900000
          MULT= 6          ISPLIT= 8
      -7: X=0.31999000 Y=0.12900000 Z=0.53300000
      -7: X=0.46700000 Y=0.87100000 Z=0.68001000
      -7: X=0.12900000 Y=0.53300000 Z=0.31999000
      -7: X=0.87100000 Y=0.68001000 Z=0.46700000
      -7: X=0.68001000 Y=0.46700000 Z=0.87100000
O          NPT=  781  R0=.000100000 RMT= 1.27        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000