B   LATTICE,NONEQUIV.ATOMS   3   44 Imm2                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.925846 10.125153 10.714747 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.45900000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.34        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.92200000
          MULT= 1          ISPLIT= 8
N          NPT=  781  R0=.000100000 RMT= 1.12        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.19600000 Z=0.03400000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.80400000 Z=0.03400000
O          NPT=  781  R0=.000100000 RMT= 1.18        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000