P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.915489 14.182395 10.162947 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04200000 Y=0.25000000 Z=0.04000000
          MULT= 4          ISPLIT= 8
      -1: X=0.95800000 Y=0.75000000 Z=0.96000000
      -1: X=0.54200000 Y=0.25000000 Z=0.46000000
      -1: X=0.45800000 Y=0.75000000 Z=0.54000000
Ca         NPT=  781  R0=.000050000 RMT= 2.27        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  -2: X=0.35880000 Y=0.00560000 Z=0.03760000
          MULT= 8          ISPLIT= 8
      -2: X=0.64120000 Y=0.99440000 Z=0.96240000
      -2: X=0.85880000 Y=0.00560000 Z=0.46240000
      -2: X=0.14120000 Y=0.99440000 Z=0.53760000
      -2: X=0.14120000 Y=0.50560000 Z=0.53760000
      -2: X=0.85880000 Y=0.49440000 Z=0.46240000
      -2: X=0.64120000 Y=0.50560000 Z=0.96240000
      -2: X=0.35880000 Y=0.49440000 Z=0.03760000
Ta         NPT=  781  R0=.000005000 RMT= 1.86        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02400000 Y=0.53500000 Z=0.27500000
          MULT= 8          ISPLIT= 8
      -3: X=0.97600000 Y=0.46500000 Z=0.72500000
      -3: X=0.52400000 Y=0.53500000 Z=0.22500000
      -3: X=0.47600000 Y=0.46500000 Z=0.77500000
      -3: X=0.47600000 Y=0.03500000 Z=0.77500000
      -3: X=0.52400000 Y=0.96500000 Z=0.22500000
      -3: X=0.97600000 Y=0.03500000 Z=0.72500000
      -3: X=0.02400000 Y=0.96500000 Z=0.27500000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -4: X=0.28700000 Y=0.54900000 Z=0.38300000
          MULT= 8          ISPLIT= 8
      -4: X=0.71300000 Y=0.45100000 Z=0.61700000
      -4: X=0.78700000 Y=0.54900000 Z=0.11700000
      -4: X=0.21300000 Y=0.45100000 Z=0.88300000
      -4: X=0.21300000 Y=0.04900000 Z=0.88300000
      -4: X=0.78700000 Y=0.95100000 Z=0.11700000
      -4: X=0.71300000 Y=0.04900000 Z=0.61700000
      -4: X=0.28700000 Y=0.95100000 Z=0.38300000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.14600000 Y=0.25000000 Z=0.46700000
          MULT= 4          ISPLIT= 8
      -5: X=0.85400000 Y=0.75000000 Z=0.53300000
      -5: X=0.64600000 Y=0.25000000 Z=0.03300000
      -5: X=0.35400000 Y=0.75000000 Z=0.96700000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.37800000 Y=0.25000000 Z=0.16200000
          MULT= 4          ISPLIT= 8
      -6: X=0.62200000 Y=0.75000000 Z=0.83800000
      -6: X=0.87800000 Y=0.25000000 Z=0.33800000
      -6: X=0.12200000 Y=0.75000000 Z=0.66200000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000