P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.547782 10.336802  9.694295 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.82100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.17900000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT= 2.15        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.18700000 Z=0.49900000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.81300000 Z=0.99900000
Ge         NPT=  781  R0=.000050000 RMT= 1.72        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25900000 Y=0.66700000 Z=0.49000000
          MULT= 4          ISPLIT= 8
      -3: X=0.24100000 Y=0.33300000 Z=0.99000000
      -3: X=0.74100000 Y=0.66700000 Z=0.49000000
      -3: X=0.75900000 Y=0.33300000 Z=0.99000000
Li         NPT=  781  R0=.000100000 RMT= 1.60        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.28600000 Y=0.66000000 Z=0.10700000
          MULT= 4          ISPLIT= 8
      -4: X=0.21400000 Y=0.34000000 Z=0.60700000
      -4: X=0.71400000 Y=0.66000000 Z=0.10700000
      -4: X=0.78600000 Y=0.34000000 Z=0.60700000
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
ATOM  -5: X=0.00000000 Y=0.84000000 Z=0.55900000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.16000000 Z=0.05900000
O          NPT=  781  R0=.000100000 RMT= 1.55        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  -6: X=0.00000000 Y=0.19400000 Z=0.12000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.80600000 Z=0.62000000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000