P   LATTICE,NONEQUIV.ATOMS   7    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.026217 12.487310 12.867145103.899000117.753000103.958000                   
ATOM  -1: X=0.27920000 Y=0.50147000 Z=0.00321000
          MULT= 2          ISPLIT= 8
      -1: X=0.72080000 Y=0.49853000 Z=0.99679000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.54636000 Y=0.01724000 Z=0.31871000
          MULT= 2          ISPLIT= 8
      -2: X=0.45364000 Y=0.98276000 Z=0.68129000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02510000 Y=0.01437000 Z=0.30853000
          MULT= 2          ISPLIT= 8
      -3: X=0.97490000 Y=0.98563000 Z=0.69147000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.46930000 Y=0.28730000 Z=0.55180000
          MULT= 2          ISPLIT= 8
      -4: X=0.53070000 Y=0.71270000 Z=0.44820000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.94580000 Y=0.23070000 Z=0.02780000
          MULT= 2          ISPLIT= 8
      -5: X=0.05420000 Y=0.76930000 Z=0.97220000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.01630000 Y=0.70540000 Z=0.43650000
          MULT= 2          ISPLIT= 8
      -6: X=0.98370000 Y=0.29460000 Z=0.56350000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.44540000 Y=0.21490000 Z=0.03200000
          MULT= 2          ISPLIT= 8
      -7: X=0.55460000 Y=0.78510000 Z=0.96800000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000