P   LATTICE,NONEQUIV.ATOMS   7  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.781206 13.781206 19.979319 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18642000 Y=0.68642000 Z=0.73748000
          MULT= 4          ISPLIT= 8
      -1: X=0.68642000 Y=0.81358000 Z=0.26252000
      -1: X=0.81358000 Y=0.31358000 Z=0.73748000
      -1: X=0.31358000 Y=0.18642000 Z=0.26252000
Y          NPT=  781  R0=.000010000 RMT= 2.20        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 1.71        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=0.20551000 Y=0.70551000 Z=0.35718000
          MULT= 4          ISPLIT= 8
      -3: X=0.70551000 Y=0.79449000 Z=0.64282000
      -3: X=0.79449000 Y=0.29449000 Z=0.35718000
      -3: X=0.29449000 Y=0.20551000 Z=0.64282000
Mo         NPT=  781  R0=.000010000 RMT= 1.71        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.19000000 Y=0.04270000 Z=0.09640000
          MULT= 8          ISPLIT= 8
      -4: X=0.04270000 Y=0.81000000 Z=0.90360000
      -4: X=0.69000000 Y=0.45730000 Z=0.90360000
      -4: X=0.81000000 Y=0.95730000 Z=0.09640000
      -4: X=0.45730000 Y=0.31000000 Z=0.09640000
      -4: X=0.95730000 Y=0.19000000 Z=0.90360000
      -4: X=0.31000000 Y=0.54270000 Z=0.90360000
      -4: X=0.54270000 Y=0.69000000 Z=0.09640000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00610000 Y=0.22620000 Z=0.29940000
          MULT= 8          ISPLIT= 8
      -5: X=0.22620000 Y=0.99390000 Z=0.70060000
      -5: X=0.50610000 Y=0.27380000 Z=0.70060000
      -5: X=0.99390000 Y=0.77380000 Z=0.29940000
      -5: X=0.27380000 Y=0.49390000 Z=0.29940000
      -5: X=0.77380000 Y=0.00610000 Z=0.70060000
      -5: X=0.49390000 Y=0.72620000 Z=0.70060000
      -5: X=0.72620000 Y=0.50610000 Z=0.29940000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19370000 Y=0.69370000 Z=0.52070000
          MULT= 4          ISPLIT= 8
      -6: X=0.69370000 Y=0.80630000 Z=0.47930000
      -6: X=0.80630000 Y=0.30630000 Z=0.52070000
      -6: X=0.30630000 Y=0.19370000 Z=0.47930000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.62820000 Y=0.12820000 Z=0.30860000
          MULT= 4          ISPLIT= 8
      -7: X=0.12820000 Y=0.37180000 Z=0.69140000
      -7: X=0.37180000 Y=0.87180000 Z=0.30860000
      -7: X=0.87180000 Y=0.62820000 Z=0.69140000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000