P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.044110 11.642603 20.397704 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17290000 Y=0.25000000 Z=0.49110000
          MULT= 4          ISPLIT= 8
      -1: X=0.82710000 Y=0.75000000 Z=0.50890000
      -1: X=0.67290000 Y=0.25000000 Z=0.00890000
      -1: X=0.32710000 Y=0.75000000 Z=0.99110000
Rb         NPT=  781  R0=.000010000 RMT= 2.30        Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.49040000 Y=0.25000000 Z=0.70720000
          MULT= 4          ISPLIT= 8
      -2: X=0.50960000 Y=0.75000000 Z=0.29280000
      -2: X=0.99040000 Y=0.25000000 Z=0.79280000
      -2: X=0.00960000 Y=0.75000000 Z=0.20720000
Rb         NPT=  781  R0=.000010000 RMT= 2.30        Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22960000 Y=0.25000000 Z=0.07960000
          MULT= 4          ISPLIT= 8
      -3: X=0.77040000 Y=0.75000000 Z=0.92040000
      -3: X=0.72960000 Y=0.25000000 Z=0.42040000
      -3: X=0.27040000 Y=0.75000000 Z=0.57960000
Se         NPT=  781  R0=.000050000 RMT= 1.61        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.02460000 Y=0.25000000 Z=0.08220000
          MULT= 4          ISPLIT= 8
      -4: X=0.97540000 Y=0.75000000 Z=0.91780000
      -4: X=0.52460000 Y=0.25000000 Z=0.41780000
      -4: X=0.47540000 Y=0.75000000 Z=0.58220000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.80000000 Y=0.25000000 Z=0.56420000
          MULT= 4          ISPLIT= 8
      -5: X=0.20000000 Y=0.75000000 Z=0.43580000
      -5: X=0.30000000 Y=0.25000000 Z=0.93580000
      -5: X=0.70000000 Y=0.75000000 Z=0.06420000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.30030000 Y=0.03180000 Z=0.14920000
          MULT= 8          ISPLIT= 8
      -6: X=0.69970000 Y=0.96820000 Z=0.85080000
      -6: X=0.80030000 Y=0.03180000 Z=0.35080000
      -6: X=0.19970000 Y=0.96820000 Z=0.64920000
      -6: X=0.19970000 Y=0.53180000 Z=0.64920000
      -6: X=0.80030000 Y=0.46820000 Z=0.35080000
      -6: X=0.69970000 Y=0.53180000 Z=0.85080000
      -6: X=0.30030000 Y=0.46820000 Z=0.14920000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000