R   LATTICE,NONEQUIV.ATOMS   7  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  7.332138  7.332138 72.452098 90.000000 90.000000120.000000                   
ATOM  -1: X=0.04400000 Y=0.04400000 Z=0.04400000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.31        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29100000 Y=0.29100000 Z=0.29100000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.31        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.46500000 Y=0.46500000 Z=0.46500000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.31        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.86900000 Y=0.86900000 Z=0.86900000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.31        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.93300000 Y=0.93300000 Z=0.93300000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 2.09        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=0.40400000 Y=0.40400000 Z=0.40400000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 2.09        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  -7: X=0.16700000 Y=0.16700000 Z=0.16700000
          MULT= 1          ISPLIT= 4
Mg         NPT=  781  R0=.000100000 RMT= 2.34        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000