P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.602799 20.501639 17.776654 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28599000 Y=0.25000000 Z=0.01297000
          MULT= 4          ISPLIT= 8
      -1: X=0.71401000 Y=0.75000000 Z=0.98703000
      -1: X=0.78599000 Y=0.25000000 Z=0.48703000
      -1: X=0.21401000 Y=0.75000000 Z=0.51297000
Ta         NPT=  781  R0=.000005000 RMT= 2.34        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.05640000 Y=0.04650000 Z=0.28950000
          MULT= 8          ISPLIT= 8
      -2: X=0.94360000 Y=0.95350000 Z=0.71050000
      -2: X=0.55640000 Y=0.04650000 Z=0.21050000
      -2: X=0.44360000 Y=0.95350000 Z=0.78950000
      -2: X=0.44360000 Y=0.54650000 Z=0.78950000
      -2: X=0.55640000 Y=0.45350000 Z=0.21050000
      -2: X=0.94360000 Y=0.54650000 Z=0.71050000
      -2: X=0.05640000 Y=0.45350000 Z=0.28950000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36120000 Y=0.25000000 Z=0.58270000
          MULT= 4          ISPLIT= 8
      -3: X=0.63880000 Y=0.75000000 Z=0.41730000
      -3: X=0.86120000 Y=0.25000000 Z=0.91730000
      -3: X=0.13880000 Y=0.75000000 Z=0.08270000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00850000 Y=0.25000000 Z=0.58380000
          MULT= 4          ISPLIT= 8
      -4: X=0.99150000 Y=0.75000000 Z=0.41620000
      -4: X=0.50850000 Y=0.25000000 Z=0.91620000
      -4: X=0.49150000 Y=0.75000000 Z=0.08380000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.30820000 Y=0.25000000 Z=0.25320000
          MULT= 4          ISPLIT= 8
      -5: X=0.69180000 Y=0.75000000 Z=0.74680000
      -5: X=0.80820000 Y=0.25000000 Z=0.24680000
      -5: X=0.19180000 Y=0.75000000 Z=0.75320000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33380000 Y=0.57740000 Z=0.44710000
          MULT= 8          ISPLIT= 8
      -6: X=0.66620000 Y=0.42260000 Z=0.55290000
      -6: X=0.83380000 Y=0.57740000 Z=0.05290000
      -6: X=0.16620000 Y=0.42260000 Z=0.94710000
      -6: X=0.16620000 Y=0.07740000 Z=0.94710000
      -6: X=0.83380000 Y=0.92260000 Z=0.05290000
      -6: X=0.66620000 Y=0.07740000 Z=0.55290000
      -6: X=0.33380000 Y=0.92260000 Z=0.44710000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000