H   LATTICE,NONEQUIV.ATOMS   4  182 P6322                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.046291 13.046291 22.620022 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.53530000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.03530000
      -1: X=0.33333333 Y=0.66666667 Z=0.96470000
      -1: X=0.66666666 Y=0.33333333 Z=0.46470000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.17160000 Y=0.34320000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.82840000 Y=0.17160000 Z=0.75000000
      -3: X=0.65680000 Y=0.82840000 Z=0.25000000
      -3: X=0.82840000 Y=0.65680000 Z=0.75000000
      -3: X=0.17160000 Y=0.82840000 Z=0.25000000
      -3: X=0.34320000 Y=0.17160000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.07        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.02900000 Y=0.34200000 Z=0.10400000
          MULT=12          ISPLIT= 8
      -4: X=0.68700000 Y=0.02900000 Z=0.60400000
      -4: X=0.65800000 Y=0.97100000 Z=0.39600000
      -4: X=0.65800000 Y=0.68700000 Z=0.10400000
      -4: X=0.68700000 Y=0.65800000 Z=0.89600000
      -4: X=0.97100000 Y=0.65800000 Z=0.60400000
      -4: X=0.02900000 Y=0.68700000 Z=0.39600000
      -4: X=0.31300000 Y=0.97100000 Z=0.10400000
      -4: X=0.34200000 Y=0.02900000 Z=0.89600000
      -4: X=0.34200000 Y=0.31300000 Z=0.60400000
      -4: X=0.31300000 Y=0.34200000 Z=0.39600000
      -4: X=0.97100000 Y=0.31300000 Z=0.89600000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000