P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.190504 12.696125 13.455795 90.000000 90.000000115.250000                   
ATOM  -1: X=0.11671000 Y=0.77579000 Z=0.36260000
          MULT= 4          ISPLIT= 8
      -1: X=0.88329000 Y=0.22421000 Z=0.63740000
      -1: X=0.38329000 Y=0.72421000 Z=0.86260000
      -1: X=0.61671000 Y=0.27579000 Z=0.13740000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03980000 Y=0.23909000 Z=0.11880000
          MULT= 4          ISPLIT= 8
      -2: X=0.96020000 Y=0.76091000 Z=0.88120000
      -2: X=0.46020000 Y=0.26091000 Z=0.61880000
      -2: X=0.53980000 Y=0.73909000 Z=0.38120000
Al         NPT=  781  R0=.000100000 RMT= 1.60        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=0.27520000 Y=0.35340000 Z=0.38930000
          MULT= 4          ISPLIT= 8
      -3: X=0.72480000 Y=0.64660000 Z=0.61070000
      -3: X=0.22480000 Y=0.14660000 Z=0.88930000
      -3: X=0.77520000 Y=0.85340000 Z=0.11070000
B          NPT=  781  R0=.000100000 RMT= 1.18        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12250000 Y=0.25420000 Z=0.34020000
          MULT= 4          ISPLIT= 8
      -4: X=0.87750000 Y=0.74580000 Z=0.65980000
      -4: X=0.37750000 Y=0.24580000 Z=0.84020000
      -4: X=0.62250000 Y=0.75420000 Z=0.15980000
O          NPT=  781  R0=.000100000 RMT= 1.37        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=0.36910000 Y=0.25950000 Z=0.33130000
          MULT= 4          ISPLIT= 8
      -5: X=0.63090000 Y=0.74050000 Z=0.66870000
      -5: X=0.13090000 Y=0.24050000 Z=0.83130000
      -5: X=0.86910000 Y=0.75950000 Z=0.16870000
O          NPT=  781  R0=.000100000 RMT= 1.37        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.37        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  -7: X=0.32740000 Y=0.53900000 Z=0.49420000
          MULT= 4          ISPLIT= 8
      -7: X=0.67260000 Y=0.46100000 Z=0.50580000
      -7: X=0.17260000 Y=0.96100000 Z=0.99420000
      -7: X=0.82740000 Y=0.03900000 Z=0.00580000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000