data_HgBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   132.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBi4
_chemical_formula_sum   'Hg1 Bi4'
_cell_volume   152.97
_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  Hg4  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.34  0.21  0.47  1.0
  Bi  Bi1  1  0.15  0.59  0.0  1.0
  Bi  Bi2  1  0.59  0.73  0.0  1.0
  Bi  Bi3  1  0.79  0.34  0.47  1.0

data_HgBi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   80.56
_cell_angle_beta   66.1
_cell_angle_gamma   66.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBi4
_chemical_formula_sum   'Hg1 Bi4'
_cell_volume   152.97
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.59  -0.0  0.56  1.0
  Bi  Bi2  1  0.73  -0.0  0.87  1.0
  Bi  Bi3  1  0.75  0.47  0.13  1.0
  Bi  Bi4  1  0.88  0.47  0.44  1.0

Hg Bi Bi Bi Bi
HgBi4 crystallizes in the triclinic P1 space group. Hg(1) is bonded in a 1-coordinate geometry to one Bi(1), one Bi(3), and two equivalent Bi(2) atoms. The Hg(1)-Bi(1) bond length is 2.71 Å. The Hg(1)-Bi(3) bond length is 1.84 Å. There is one shorter (3.07 Å) and one longer (3.17 Å) Hg(1)-Bi(2) bond length. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted water-like geometry to one Hg(1) and one Bi(4) atom. The Bi(1)-Bi(4) bond length is 2.24 Å. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent Hg(1), one Bi(3), and one Bi(4) atom. The Bi(2)-Bi(3) bond length is 2.24 Å. The Bi(2)-Bi(4) bond length is 3.04 Å. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to one Hg(1) and one Bi(2) atom. In the fourth Bi site, Bi(4) is bonded in a 2-coordinate geometry to one Bi(1) and one Bi(2) atom.