R   LATTICE,NONEQUIV.ATOMS   7  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.017756 13.017756 31.617761 90.000000 90.000000120.000000                   
ATOM  -1: X=0.39900000 Y=0.39900000 Z=0.39900000
          MULT= 1          ISPLIT= 4
Mo         NPT=  781  R0=.000010000 RMT= 2.36        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  -2: X=0.39900000 Y=0.81400000 Z=0.39900000
          MULT= 3          ISPLIT= 8
      -2: X=0.81400000 Y=0.39900000 Z=0.39900000
      -2: X=0.39900000 Y=0.39900000 Z=0.81400000
Mo         NPT=  781  R0=.000010000 RMT= 2.36        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.63600000 Y=0.63600000 Z=0.63600000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.64000000 Y=0.09701000 Z=0.64000000
          MULT= 3          ISPLIT= 8
      -4: X=0.09701000 Y=0.64000000 Z=0.64000000
      -4: X=0.64000000 Y=0.64000000 Z=0.09701000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.13600000 Y=0.13600000 Z=0.13600000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
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=0.60600000 Z=0.14400000
          MULT= 3          ISPLIT= 8
      -6: X=0.60600000 Y=0.14400000 Z=0.14400000
      -6: X=0.14400000 Y=0.14400000 Z=0.60600000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 2.14        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000