P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.325559 12.160388  9.478866 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= 2.00        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=0.22476000 Y=0.25000000 Z=0.51300000
          MULT= 4          ISPLIT= 8
      -2: X=0.77524000 Y=0.75000000 Z=0.48700000
      -2: X=0.72476000 Y=0.25000000 Z=0.98700000
      -2: X=0.27524000 Y=0.75000000 Z=0.01300000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        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=0.41831000 Y=0.25000000 Z=0.07920000
          MULT= 4          ISPLIT= 8
      -3: X=0.58169000 Y=0.75000000 Z=0.92080000
      -3: X=0.91831000 Y=0.25000000 Z=0.42080000
      -3: X=0.08169000 Y=0.75000000 Z=0.57920000
Ge         NPT=  781  R0=.000050000 RMT= 1.72        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.41920000 Y=0.25000000 Z=0.73220000
          MULT= 4          ISPLIT= 8
      -4: X=0.58080000 Y=0.75000000 Z=0.26780000
      -4: X=0.91920000 Y=0.25000000 Z=0.76780000
      -4: X=0.08080000 Y=0.75000000 Z=0.23220000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.05650000 Y=0.25000000 Z=0.24800000
          MULT= 4          ISPLIT= 8
      -5: X=0.94350000 Y=0.75000000 Z=0.75200000
      -5: X=0.55650000 Y=0.25000000 Z=0.25200000
      -5: X=0.44350000 Y=0.75000000 Z=0.74800000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.35130000 Y=0.03300000 Z=0.23310000
          MULT= 8          ISPLIT= 8
      -6: X=0.64870000 Y=0.96700000 Z=0.76690000
      -6: X=0.85130000 Y=0.03300000 Z=0.26690000
      -6: X=0.14870000 Y=0.96700000 Z=0.73310000
      -6: X=0.14870000 Y=0.53300000 Z=0.73310000
      -6: X=0.85130000 Y=0.46700000 Z=0.26690000
      -6: X=0.64870000 Y=0.53300000 Z=0.76690000
      -6: X=0.35130000 Y=0.46700000 Z=0.23310000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000