data_CuHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.19
_cell_angle_alpha   95.88
_cell_angle_beta   95.88
_cell_angle_gamma   32.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgMo2
_chemical_formula_sum   'Cu1 Hg1 Mo2'
_cell_volume   65.1
_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
  Cu  Cu0  1  0.39  0.0  0.6  1.0
  Hg  Hg1  1  0.87  0.0  0.37  1.0
  Mo  Mo2  1  0.48  0.0  0.03  1.0
  Mo  Mo3  1  0.82  0.0  0.91  1.0

data_CuHgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.84
_cell_length_c   5.19
_cell_angle_alpha   95.88
_cell_angle_beta   90.0
_cell_angle_gamma   106.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgMo2
_chemical_formula_sum   'Cu1 Hg1 Mo2'
_cell_volume   65.1
_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
  Cu  Cu0  1  0.0  0.61  0.4  1.0
  Hg  Hg1  1  0.0  0.13  0.63  1.0
  Mo  Mo2  1  0.0  0.18  0.09  1.0
  Mo  Mo3  1  0.0  0.52  0.97  1.0

Cu Hg Mo Mo
Mo2CuHg crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(1), and one Hg(1) atom. The Mo(1)-Mo(2) bond length is 1.82 Å. The Mo(1)-Cu(1) bond length is 2.19 Å. The Mo(1)-Hg(1) bond length is 2.46 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(1), one Cu(1), and two equivalent Hg(1) atoms. The Mo(2)-Cu(1) bond length is 2.47 Å. There is one shorter (2.42 Å) and one longer (2.79 Å) Mo(2)-Hg(1) bond length. Cu(1) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(2), and two equivalent Hg(1) atoms. There is one shorter (2.68 Å) and one longer (2.71 Å) Cu(1)-Hg(1) bond length. Hg(1) is bonded in a 7-coordinate geometry to one Mo(1), two equivalent Mo(2), two equivalent Cu(1), and two equivalent Hg(1) atoms. Both Hg(1)-Hg(1) bond lengths are 2.71 Å.