H   LATTICE,NONEQUIV.ATOMS   4  156 P3m1                                       
MODE OF CALC=RELA unit=bohr                                                    
  4.864155  4.864155  8.394163 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.17050000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.36        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.64180000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.36        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.00400000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.55        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.51270000
          MULT= 1          ISPLIT= 4
N          NPT=  781  R0=.000100000 RMT= 1.50        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000