data_HgBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiMo2
_chemical_formula_sum   'Hg1 Bi1 Mo2'
_cell_volume   79.88
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.64  1.0
  Mo  Mo2  1  0.76  0.0  0.3  1.0
  Mo  Mo3  1  0.76  0.0  0.98  1.0

data_HgBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiMo2
_chemical_formula_sum   'Hg1 Bi1 Mo2'
_cell_volume   79.88
_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  0.0  0.0  0.64  1.0
  Mo  Mo2  1  0.76  0.0  0.3  1.0
  Mo  Mo3  1  0.76  0.0  0.98  1.0

Hg Bi Mo Mo
Hg Bi Mo Mo 0 3 - o - 0 1 o o - 0 2 - o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 - o o 1 3 - o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o - 
Mo2HgBi crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to four equivalent Mo(1), one Hg(1), and one Bi(1) atom. All Mo(1)-Mo(1) bond lengths are 3.02 Å. The Mo(1)-Hg(1) bond length is 2.91 Å. The Mo(1)-Bi(1) bond length is 3.21 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Hg(1) and one Bi(1) atom. The Mo(2)-Hg(1) bond length is 0.77 Å. The Mo(2)-Bi(1) bond length is 3.21 Å. Hg(1) is bonded in a single-bond geometry to one Mo(1) and one Mo(2) atom. Bi(1) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(2), and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.02 Å.