P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.501639 11.893936  9.000766 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 1.94        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22430000 Y=0.25000000 Z=0.52670000
          MULT= 4          ISPLIT= 8
      -2: X=0.77570000 Y=0.75000000 Z=0.47330000
      -2: X=0.72430000 Y=0.25000000 Z=0.97330000
      -2: X=0.27570000 Y=0.75000000 Z=0.02670000
Ca         NPT=  781  R0=.000050000 RMT= 2.11        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.41930000 Y=0.25000000 Z=0.08660000
          MULT= 4          ISPLIT= 8
      -3: X=0.58070000 Y=0.75000000 Z=0.91340000
      -3: X=0.91930000 Y=0.25000000 Z=0.41340000
      -3: X=0.08070000 Y=0.75000000 Z=0.58660000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.42400000 Y=0.25000000 Z=0.75230000
          MULT= 4          ISPLIT= 8
      -4: X=0.57600000 Y=0.75000000 Z=0.24770000
      -4: X=0.92400000 Y=0.25000000 Z=0.74770000
      -4: X=0.07600000 Y=0.75000000 Z=0.25230000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -5: X=0.05390000 Y=0.25000000 Z=0.25240000
          MULT= 4          ISPLIT= 8
      -5: X=0.94610000 Y=0.75000000 Z=0.74760000
      -5: X=0.55390000 Y=0.25000000 Z=0.24760000
      -5: X=0.44610000 Y=0.75000000 Z=0.75240000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.35240000 Y=0.04500000 Z=0.22850000
          MULT= 8          ISPLIT= 8
      -6: X=0.64760000 Y=0.95500000 Z=0.77150000
      -6: X=0.85240000 Y=0.04500000 Z=0.27150000
      -6: X=0.14760000 Y=0.95500000 Z=0.72850000
      -6: X=0.14760000 Y=0.54500000 Z=0.72850000
      -6: X=0.85240000 Y=0.45500000 Z=0.27150000
      -6: X=0.64760000 Y=0.54500000 Z=0.77150000
      -6: X=0.35240000 Y=0.45500000 Z=0.22850000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000