P   LATTICE,NONEQUIV.ATOMS   9   53 Pmna                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.826456 11.223084 23.561105 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.26286000 Z=0.40561000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.73714000 Z=0.59439000
      -1: X=0.50000000 Y=0.26286000 Z=0.09439000
      -1: X=0.50000000 Y=0.73714000 Z=0.90561000
Sn         NPT=  781  R0=.000010000 RMT= 2.07        Z:  50.00000              
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=0.24980000 Z=0.08527000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.75020000 Z=0.91473000
      -2: X=0.50000000 Y=0.24980000 Z=0.41473000
      -2: X=0.50000000 Y=0.75020000 Z=0.58527000
Zr         NPT=  781  R0=.000010000 RMT= 1.93        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.14370000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.85630000 Y=0.00000000 Z=0.00000000
      -3: X=0.64370000 Y=0.00000000 Z=0.50000000
      -3: X=0.35630000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.62720000 Z=0.07110000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.37280000 Z=0.92890000
      -4: X=0.50000000 Y=0.62720000 Z=0.42890000
      -4: X=0.50000000 Y=0.37280000 Z=0.57110000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00070000 Z=0.19350000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.99930000 Z=0.80650000
      -5: X=0.50000000 Y=0.00070000 Z=0.30650000
      -5: X=0.50000000 Y=0.99930000 Z=0.69350000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
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=0.40500000 Z=0.24100000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.59500000 Z=0.75900000
      -6: X=0.50000000 Y=0.40500000 Z=0.25900000
      -6: X=0.50000000 Y=0.59500000 Z=0.74100000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.23310000 Y=0.34080000 Z=0.10990000
          MULT= 8          ISPLIT= 8
      -7: X=0.76690000 Y=0.65920000 Z=0.89010000
      -7: X=0.73310000 Y=0.34080000 Z=0.39010000
      -7: X=0.26690000 Y=0.65920000 Z=0.60990000
      -7: X=0.76690000 Y=0.34080000 Z=0.10990000
      -7: X=0.23310000 Y=0.65920000 Z=0.89010000
      -7: X=0.26690000 Y=0.34080000 Z=0.39010000
      -7: X=0.73310000 Y=0.65920000 Z=0.60990000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.38390000 Z=0.58380000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.61610000 Z=0.41620000
      -8: X=0.50000000 Y=0.38390000 Z=0.91620000
      -8: X=0.50000000 Y=0.61610000 Z=0.08380000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.25000000 Y=0.71710000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -9: X=0.75000000 Y=0.28290000 Z=0.75000000
      -9: X=0.75000000 Y=0.71710000 Z=0.25000000
      -9: X=0.25000000 Y=0.28290000 Z=0.75000000
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