P   LATTICE,NONEQUIV.ATOMS   3  135 P42/mbc                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.394276 15.394276  9.432190 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36630000 Y=0.29063000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.63370000 Y=0.70937000 Z=0.00000000
      -1: X=0.70937000 Y=0.36630000 Z=0.50000000
      -1: X=0.29063000 Y=0.63370000 Z=0.50000000
      -1: X=0.13370000 Y=0.79063000 Z=0.00000000
      -1: X=0.86630000 Y=0.20937000 Z=0.00000000
      -1: X=0.20937000 Y=0.13370000 Z=0.50000000
      -1: X=0.79063000 Y=0.86630000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 1.59        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13720000 Y=0.63720000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.86280000 Y=0.36280000 Z=0.75000000
      -2: X=0.36280000 Y=0.13720000 Z=0.75000000
      -2: X=0.63720000 Y=0.86280000 Z=0.25000000
      -2: X=0.36280000 Y=0.13720000 Z=0.25000000
      -2: X=0.63720000 Y=0.86280000 Z=0.75000000
      -2: X=0.86280000 Y=0.36280000 Z=0.25000000
      -2: X=0.13720000 Y=0.63720000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.05990000 Y=0.16680000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.94010000 Y=0.83320000 Z=0.00000000
      -3: X=0.83320000 Y=0.05990000 Z=0.50000000
      -3: X=0.16680000 Y=0.94010000 Z=0.50000000
      -3: X=0.44010000 Y=0.66680000 Z=0.00000000
      -3: X=0.55990000 Y=0.33320000 Z=0.00000000
      -3: X=0.33320000 Y=0.44010000 Z=0.50000000
      -3: X=0.66680000 Y=0.55990000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000