R   LATTICE,NONEQUIV.ATOMS   7  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
 15.781103 15.781103 48.839969 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16700000 Y=0.83300000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.83300000 Y=0.50000000 Z=0.16700000
      -1: X=0.50000000 Y=0.16700000 Z=0.83300000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.33300000 Y=0.66700000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.66700000 Y=0.00000000 Z=0.33300000
      -2: X=0.00000000 Y=0.33300000 Z=0.66700000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.36100000 Y=0.36100000 Z=0.36100000
          MULT= 2          ISPLIT= 4
      -3: X=0.63900000 Y=0.63900000 Z=0.63900000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08300000 Y=0.08300000 Z=0.08300000
          MULT= 2          ISPLIT= 4
      -4: X=0.91700000 Y=0.91700000 Z=0.91700000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19500000 Y=0.19500000 Z=0.19500000
          MULT= 2          ISPLIT= 4
      -5: X=0.80500000 Y=0.80500000 Z=0.80500000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11200000 Y=0.44501000 Z=0.77800000
          MULT= 6          ISPLIT= 8
      -6: X=0.44501000 Y=0.77800000 Z=0.11200000
      -6: X=0.88800000 Y=0.22200000 Z=0.55499000
      -6: X=0.77800000 Y=0.11200000 Z=0.44501000
      -6: X=0.22200000 Y=0.55499000 Z=0.88800000
      -6: X=0.55499000 Y=0.88800000 Z=0.22200000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.38900000 Y=0.05601000 Z=0.72200000
          MULT= 6          ISPLIT= 8
      -7: X=0.05601000 Y=0.72200000 Z=0.38900000
      -7: X=0.61100000 Y=0.27800000 Z=0.94399000
      -7: X=0.72200000 Y=0.38900000 Z=0.05601000
      -7: X=0.27800000 Y=0.94399000 Z=0.61100000
      -7: X=0.94399000 Y=0.61100000 Z=0.27800000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000