P   LATTICE,NONEQUIV.ATOMS   6  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 17.442172 17.442172 23.999522 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.00200000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.99800000
      -1: X=0.25000000 Y=0.75000000 Z=0.50200000
      -1: X=0.75000000 Y=0.25000000 Z=0.49800000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.99100000
      -2: X=0.25000000 Y=0.25000000 Z=0.50900000
      -2: X=0.75000000 Y=0.75000000 Z=0.49100000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.49600000 Y=0.50400000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.50400000 Y=0.49600000 Z=0.75000000
      -3: X=0.99600000 Y=0.49600000 Z=0.75000000
      -3: X=0.00400000 Y=0.50400000 Z=0.25000000
      -3: X=0.00400000 Y=0.99600000 Z=0.25000000
      -3: X=0.99600000 Y=0.00400000 Z=0.75000000
      -3: X=0.50400000 Y=0.00400000 Z=0.75000000
      -3: X=0.49600000 Y=0.99600000 Z=0.25000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.03000000 Z=0.38000000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.97000000 Z=0.62000000
      -4: X=0.47000000 Y=0.25000000 Z=0.88000000
      -4: X=0.53000000 Y=0.75000000 Z=0.12000000
      -4: X=0.25000000 Y=0.47000000 Z=0.38000000
      -4: X=0.75000000 Y=0.53000000 Z=0.62000000
      -4: X=0.03000000 Y=0.25000000 Z=0.88000000
      -4: X=0.97000000 Y=0.75000000 Z=0.12000000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.53400000 Z=0.85200000
          MULT= 8          ISPLIT= 8
      -5: X=0.75000000 Y=0.46600000 Z=0.14800000
      -5: X=0.96600000 Y=0.25000000 Z=0.35200000
      -5: X=0.03400000 Y=0.75000000 Z=0.64800000
      -5: X=0.25000000 Y=0.96600000 Z=0.85200000
      -5: X=0.75000000 Y=0.03400000 Z=0.14800000
      -5: X=0.53400000 Y=0.25000000 Z=0.35200000
      -5: X=0.46600000 Y=0.75000000 Z=0.64800000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.01200000 Z=0.11600000
          MULT= 8          ISPLIT= 8
      -6: X=0.75000000 Y=0.98800000 Z=0.88400000
      -6: X=0.48800000 Y=0.25000000 Z=0.61600000
      -6: X=0.51200000 Y=0.75000000 Z=0.38400000
      -6: X=0.25000000 Y=0.48800000 Z=0.11600000
      -6: X=0.75000000 Y=0.51200000 Z=0.88400000
      -6: X=0.01200000 Y=0.25000000 Z=0.61600000
      -6: X=0.98800000 Y=0.75000000 Z=0.38400000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000