P   LATTICE,NONEQUIV.ATOMS   4   17 P2221                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.715331  6.800368  6.713819 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75800000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.24200000 Y=0.50000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.48        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.75200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.24800000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.40        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.24200000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.75800000 Y=0.00000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.41        Z:   6.00000              
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=0.24500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75500000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.41        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000