H   LATTICE,NONEQUIV.ATOMS   7  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.874310 16.874310  9.569951 90.000000 90.000000120.000000                   
ATOM  -1: X=0.62800000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.62800000 Z=0.00000000
      -1: X=0.37200000 Y=0.37200000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.09        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.28550000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.28550000 Z=0.50000000
      -2: X=0.71450000 Y=0.71450000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.64        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.49900000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.50100000
Al         NPT=  781  R0=.000100000 RMT= 1.64        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10410000 Y=0.19050000 Z=0.20400000
          MULT= 6          ISPLIT= 8
      -5: X=0.80950000 Y=0.91360000 Z=0.20400000
      -5: X=0.19050000 Y=0.10410000 Z=0.79600000
      -5: X=0.08640000 Y=0.89590000 Z=0.20400000
      -5: X=0.89590000 Y=0.08640000 Z=0.79600000
      -5: X=0.91360000 Y=0.80950000 Z=0.79600000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.14400000 Y=0.55410000 Z=0.29700000
          MULT= 6          ISPLIT= 8
      -6: X=0.44590000 Y=0.58990000 Z=0.29700000
      -6: X=0.55410000 Y=0.14400000 Z=0.70300000
      -6: X=0.41010000 Y=0.85600000 Z=0.29700000
      -6: X=0.85600000 Y=0.41010000 Z=0.70300000
      -6: X=0.58990000 Y=0.44590000 Z=0.70300000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.47460000 Y=0.25170000 Z=0.29700000
          MULT= 6          ISPLIT= 8
      -7: X=0.74830000 Y=0.22290000 Z=0.29700000
      -7: X=0.25170000 Y=0.47460000 Z=0.70300000
      -7: X=0.77710000 Y=0.52540000 Z=0.29700000
      -7: X=0.52540000 Y=0.77710000 Z=0.70300000
      -7: X=0.22290000 Y=0.74830000 Z=0.70300000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000