P   LATTICE,NONEQUIV.ATOMS   5   13 P2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.604904 11.903952 12.699904 90.000000 90.000000 98.710000                   
ATOM  -1: X=0.14548000 Y=0.07292000 Z=0.35745000
          MULT= 4          ISPLIT= 8
      -1: X=0.85452000 Y=0.92708000 Z=0.64255000
      -1: X=0.85452000 Y=0.42708000 Z=0.35745000
      -1: X=0.14548000 Y=0.57292000 Z=0.64255000
Nb         NPT=  781  R0=.000010000 RMT= 2.33        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.30083000 Y=0.17021000 Z=0.07522000
          MULT= 4          ISPLIT= 8
      -2: X=0.69917000 Y=0.82979000 Z=0.92478000
      -2: X=0.69917000 Y=0.32979000 Z=0.07522000
      -2: X=0.30083000 Y=0.67021000 Z=0.92478000
Se         NPT=  781  R0=.000050000 RMT= 2.50        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  -3: X=0.06792000 Y=0.35647000 Z=0.20790000
          MULT= 4          ISPLIT= 8
      -3: X=0.93208000 Y=0.64353000 Z=0.79210000
      -3: X=0.93208000 Y=0.14353000 Z=0.20790000
      -3: X=0.06792000 Y=0.85647000 Z=0.79210000
Cl         NPT=  781  R0=.000100000 RMT= 1.58        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30437000 Y=0.24703000 Z=0.55253000
          MULT= 4          ISPLIT= 8
      -4: X=0.69563000 Y=0.75297000 Z=0.44747000
      -4: X=0.69563000 Y=0.25297000 Z=0.55253000
      -4: X=0.30437000 Y=0.74703000 Z=0.44747000
Cl         NPT=  781  R0=.000100000 RMT= 1.58        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.54371000 Y=0.15715000 Z=0.32106000
          MULT= 4          ISPLIT= 8
      -5: X=0.45629000 Y=0.84285000 Z=0.67894000
      -5: X=0.45629000 Y=0.34285000 Z=0.32106000
      -5: X=0.54371000 Y=0.65715000 Z=0.67894000
Cl         NPT=  781  R0=.000100000 RMT= 1.58        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000