data_CdHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.73
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgMo2
_chemical_formula_sum   'Cd1 Hg1 Mo2'
_cell_volume   72.29
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.46  0.0  0.74  1.0
  Mo  Mo2  1  0.57  0.36  0.2  1.0
  Mo  Mo3  1  0.15  0.36  0.28  1.0

data_CdHgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.73
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgMo2
_chemical_formula_sum   'Cd1 Hg1 Mo2'
_cell_volume   72.29
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.46  0.0  0.74  1.0
  Mo  Mo2  1  0.15  0.36  0.28  1.0
  Mo  Mo3  1  0.57  0.36  0.2  1.0

Cd Hg Mo Mo
Mo2HgCd crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent Mo(2) and two equivalent Cd(1) atoms. There is one shorter (1.33 Å) and one longer (1.59 Å) Mo(1)-Mo(2) bond length. There is one shorter (2.46 Å) and one longer (2.49 Å) Mo(1)-Cd(1) bond length. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to two equivalent Mo(1), one Hg(1), and two equivalent Cd(1) atoms. The Mo(2)-Hg(1) bond length is 3.08 Å. There is one shorter (2.30 Å) and one longer (3.38 Å) Mo(2)-Cd(1) bond length. Hg(1) is bonded in a distorted L-shaped geometry to one Mo(2) and two equivalent Cd(1) atoms. There is one shorter (1.88 Å) and one longer (2.12 Å) Hg(1)-Cd(1) bond length. Cd(1) is bonded in a 5-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and two equivalent Hg(1) atoms.