P   LATTICE,NONEQUIV.ATOMS   3  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.443787 15.443787 15.443787 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Sn         NPT=  781  R0=.000010000 RMT= 2.06        Z:  50.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.33312000 Y=0.33312000 Z=0.33312000
          MULT= 8          ISPLIT= 4
      -2: X=0.66688000 Y=0.66688000 Z=0.66688000
      -2: X=0.16688000 Y=0.66688000 Z=0.83312000
      -2: X=0.83312000 Y=0.33312000 Z=0.16688000
      -2: X=0.83312000 Y=0.16688000 Z=0.66688000
      -2: X=0.16688000 Y=0.83312000 Z=0.33312000
      -2: X=0.66688000 Y=0.83312000 Z=0.16688000
      -2: X=0.33312000 Y=0.16688000 Z=0.83312000
Se         NPT=  781  R0=.000050000 RMT= 1.67        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.24488000 Y=0.46500000 Z=0.46690000
          MULT=24          ISPLIT= 8
      -3: X=0.75512000 Y=0.53500000 Z=0.53310000
      -3: X=0.25512000 Y=0.53500000 Z=0.96690000
      -3: X=0.74488000 Y=0.46500000 Z=0.03310000
      -3: X=0.74488000 Y=0.03500000 Z=0.53310000
      -3: X=0.25512000 Y=0.96500000 Z=0.46690000
      -3: X=0.46690000 Y=0.24488000 Z=0.46500000
      -3: X=0.53310000 Y=0.75512000 Z=0.53500000
      -3: X=0.75512000 Y=0.96500000 Z=0.03310000
      -3: X=0.24488000 Y=0.03500000 Z=0.96690000
      -3: X=0.03310000 Y=0.75512000 Z=0.96500000
      -3: X=0.96690000 Y=0.24488000 Z=0.03500000
      -3: X=0.96690000 Y=0.25512000 Z=0.53500000
      -3: X=0.03310000 Y=0.74488000 Z=0.46500000
      -3: X=0.53310000 Y=0.74488000 Z=0.03500000
      -3: X=0.46690000 Y=0.25512000 Z=0.96500000
      -3: X=0.46500000 Y=0.46690000 Z=0.24488000
      -3: X=0.53500000 Y=0.53310000 Z=0.75512000
      -3: X=0.03500000 Y=0.53310000 Z=0.74488000
      -3: X=0.96500000 Y=0.46690000 Z=0.25512000
      -3: X=0.96500000 Y=0.03310000 Z=0.75512000
      -3: X=0.03500000 Y=0.96690000 Z=0.24488000
      -3: X=0.53500000 Y=0.96690000 Z=0.25512000
      -3: X=0.46500000 Y=0.03310000 Z=0.74488000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000