data_Hg2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   149.89
_cell_angle_beta   129.1
_cell_angle_gamma   60.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiIr
_chemical_formula_sum   'Hg2 Bi1 Ir1'
_cell_volume   89.17
_cell_formula_units_Z   1
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
  Hg  Hg1  1  0.59  0.0  0.33  1.0
  Hg  Hg2  1  0.0  0.64  0.98  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_Hg2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.27
_cell_length_c   6.14
_cell_angle_alpha   115.45
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiIr
_chemical_formula_sum   'Hg2 Bi1 Ir1'
_cell_volume   89.17
_cell_formula_units_Z   1
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
  Hg  Hg0  1  0.0  0.33  0.74  1.0
  Hg  Hg1  1  0.36  0.34  0.34  1.0
  Bi  Bi2  1  0.0  0.31  0.31  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

Hg Hg Bi Ir
IrHg2Bi crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 4-coordinate geometry to one Hg(2), two equivalent Hg(1), and one Bi(1) atom. The Ir(1)-Hg(2) bond length is 2.11 Å. There is one shorter (2.84 Å) and one longer (3.20 Å) Ir(1)-Hg(1) bond length. The Ir(1)-Bi(1) bond length is 1.88 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent Ir(1), one Hg(2), two equivalent Hg(1), and one Bi(1) atom. The Hg(1)-Hg(2) bond length is 2.75 Å. Both Hg(1)-Hg(1) bond lengths are 3.19 Å. The Hg(1)-Bi(1) bond length is 2.58 Å. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Ir(1), one Hg(1), and two equivalent Bi(1) atoms. There is one shorter (1.12 Å) and one longer (2.09 Å) Hg(2)-Bi(1) bond length. Bi(1) is bonded in a 4-coordinate geometry to one Ir(1), one Hg(1), and two equivalent Hg(2) atoms.