data_Zr2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   129.44
_cell_angle_beta   129.44
_cell_angle_gamma   74.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2HgBi
_chemical_formula_sum   'Zr2 Hg1 Bi1'
_cell_volume   92.55
_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
  Zr  Zr2  1  0.31  0.0  0.16  1.0
  Zr  Zr3  1  0.0  0.31  0.16  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.32  1.0

data_Zr2HgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   127.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2HgBi
_chemical_formula_sum   'Zr4 Hg2 Bi2'
_cell_volume   185.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  4  0.34  0.34  0.85  1.0
  Hg  Hg1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.32  1.0

Zr Zr Hg Bi
Zr Zr Hg Bi 0 2 o o o 1 2 o o o 2 3 o o o 
Zr2HgBi crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Hg(1) and three equivalent Bi(1) atoms. The Zr(1)-Hg(1) bond length is 1.33 Å. There are a spread of Zr(1)-Bi(1) bond distances ranging from 2.35-3.71 Å. Hg(1) is bonded in a distorted water-like geometry to two equivalent Zr(1) and one Bi(1) atom. The Hg(1)-Bi(1) bond length is 1.73 Å. Bi(1) is bonded in a 7-coordinate geometry to six equivalent Zr(1) and one Hg(1) atom.