P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.846212 10.083768 18.575630 90.000000 90.000000109.911000                   
ATOM  -1: X=0.25400000 Y=0.02830000 Z=0.01820000
          MULT= 4          ISPLIT= 8
      -1: X=0.74600000 Y=0.97170000 Z=0.98180000
      -1: X=0.24600000 Y=0.47170000 Z=0.51820000
      -1: X=0.75400000 Y=0.52830000 Z=0.48180000
Ca         NPT=  781  R0=.000050000 RMT= 1.49        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10010000 Y=0.40150000 Z=0.25020000
          MULT= 4          ISPLIT= 8
      -2: X=0.89990000 Y=0.59850000 Z=0.74980000
      -2: X=0.39990000 Y=0.09850000 Z=0.75020000
      -2: X=0.60010000 Y=0.90150000 Z=0.24980000
Al         NPT=  781  R0=.000100000 RMT= 1.55        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  -3: X=0.17510000 Y=0.60810000 Z=0.38960000
          MULT= 4          ISPLIT= 8
      -3: X=0.82490000 Y=0.39190000 Z=0.61040000
      -3: X=0.32490000 Y=0.89190000 Z=0.88960000
      -3: X=0.67510000 Y=0.10810000 Z=0.11040000
F          NPT=  781  R0=.000100000 RMT= 1.57        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  -4: X=0.14590000 Y=0.65320000 Z=0.13680000
          MULT= 4          ISPLIT= 8
      -4: X=0.85410000 Y=0.34680000 Z=0.86320000
      -4: X=0.35410000 Y=0.84680000 Z=0.63680000
      -4: X=0.64590000 Y=0.15320000 Z=0.36320000
F          NPT=  781  R0=.000100000 RMT= 1.57        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  -5: X=0.06030000 Y=0.12730000 Z=0.37230000
          MULT= 4          ISPLIT= 8
      -5: X=0.93970000 Y=0.87270000 Z=0.62770000
      -5: X=0.43970000 Y=0.37270000 Z=0.87230000
      -5: X=0.56030000 Y=0.62730000 Z=0.12770000
F          NPT=  781  R0=.000100000 RMT= 1.57        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=0.34260000 Y=0.35270000 Z=0.21880000
          MULT= 4          ISPLIT= 8
      -6: X=0.65740000 Y=0.64730000 Z=0.78120000
      -6: X=0.15740000 Y=0.14730000 Z=0.71880000
      -6: X=0.84260000 Y=0.85270000 Z=0.28120000
F          NPT=  781  R0=.000100000 RMT= 1.57        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=0.01510000 Y=0.16320000 Z=0.12070000
          MULT= 4          ISPLIT= 8
      -7: X=0.98490000 Y=0.83680000 Z=0.87930000
      -7: X=0.48490000 Y=0.33680000 Z=0.62070000
      -7: X=0.51510000 Y=0.66320000 Z=0.37930000
F          NPT=  781  R0=.000100000 RMT= 1.57        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000