R   LATTICE,NONEQUIV.ATOMS   7  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.620261 10.620261 52.194236 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37220000 Y=0.37220000 Z=0.37220000
          MULT= 2          ISPLIT= 4
      -1: X=0.62780000 Y=0.62780000 Z=0.62780000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21970000 Y=0.21970000 Z=0.21970000
          MULT= 2          ISPLIT= 4
      -2: X=0.78030000 Y=0.78030000 Z=0.78030000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09670000 Y=0.09670000 Z=0.09670000
          MULT= 2          ISPLIT= 4
      -3: X=0.90330000 Y=0.90330000 Z=0.90330000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.65        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.65        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  -6: X=0.33400000 Y=0.89180000 Z=0.89180000
          MULT= 6          ISPLIT= 8
      -6: X=0.66600000 Y=0.10820000 Z=0.10820000
      -6: X=0.89180000 Y=0.89180000 Z=0.33400000
      -6: X=0.10820000 Y=0.10820000 Z=0.66600000
      -6: X=0.89180000 Y=0.33400000 Z=0.89180000
      -6: X=0.10820000 Y=0.66600000 Z=0.10820000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.30990000 Y=0.30990000 Z=0.76690000
          MULT= 6          ISPLIT= 8
      -7: X=0.69010000 Y=0.69010000 Z=0.23310000
      -7: X=0.30990000 Y=0.76690000 Z=0.30990000
      -7: X=0.69010000 Y=0.23310000 Z=0.69010000
      -7: X=0.76690000 Y=0.30990000 Z=0.30990000
      -7: X=0.23310000 Y=0.69010000 Z=0.69010000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000