P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.317570 11.317570  6.120823 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.61000000 Y=0.11000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.39000000 Y=0.89000000 Z=0.00000000
      -2: X=0.89000000 Y=0.61000000 Z=0.00000000
      -2: X=0.11000000 Y=0.39000000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.75        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.18000000 Y=0.68000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -3: X=0.82000000 Y=0.32000000 Z=0.50000000
      -3: X=0.32000000 Y=0.18000000 Z=0.50000000
      -3: X=0.68000000 Y=0.82000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000