[CIF]
data_Tl4HgB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05510742
_cell_length_b   8.05510742
_cell_length_c   6.97199497
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4HgB6
_chemical_formula_sum   'Tl8 Hg2 B12'
_cell_volume   452.37618931
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  B  B0  1  0.00000000  0.00000000  2.20814006  1
  B  B1  1  4.02755371  4.02755371  1.27785743  1
  B  B2  1  0.00000000  0.00000000  4.76385491  1
  B  B3  1  4.02755371  4.02755371  5.69413754  1
  B  B4  1  4.62846875  2.97425755  0.00000000  1
  B  B5  1  3.42663867  5.08084987  0.00000000  1
  B  B6  1  5.08084987  4.62846875  0.00000000  1
  B  B7  1  2.97425755  3.42663867  0.00000000  1
  B  B8  1  7.45419238  7.00181126  3.48599749  1
  B  B9  1  0.60091504  1.05329616  3.48599749  1
  B  B10  1  7.00181126  0.60091504  3.48599749  1
  B  B11  1  1.05329616  7.45419238  3.48599749  1
  Hg  Hg12  1  0.00000000  0.00000000  0.00000000  1
  Hg  Hg13  1  4.02755371  4.02755371  3.48599749  1
  Tl  Tl14  1  1.11519104  2.91236267  1.74299874  1
  Tl  Tl15  1  6.93991638  5.14274475  1.74299874  1
  Tl  Tl16  1  5.14274475  1.11519104  1.74299874  1
  Tl  Tl17  1  2.91236267  6.93991638  1.74299874  1
  Tl  Tl18  1  6.93991638  5.14274475  5.22899623  1
  Tl  Tl19  1  1.11519104  2.91236267  5.22899623  1
  Tl  Tl20  1  2.91236267  6.93991638  5.22899623  1
  Tl  Tl21  1  5.14274475  1.11519104  5.22899623  1
[/CIF]
