data_HgMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   143.85
_cell_angle_beta   130.07
_cell_angle_gamma   63.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.21
_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  0.55  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.66  0.0  0.12  1.0
  W  W3  1  0.0  0.26  0.44  1.0

data_HgMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.51
_cell_length_c   5.35
_cell_angle_alpha   114.97
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW2
_chemical_formula_sum   'Hg1 Mo1 W2'
_cell_volume   68.21
_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  0.55  0.55  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.12  0.46  1.0
  W  W3  1  0.74  0.18  0.18  1.0

Hg Mo W W
Hg Mo W W 0 3 o o o 0 2 - o o 1 3 o o o 2 3 + o o 
W2MoHg crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to one W(2) and two equivalent Hg(1) atoms. The W(1)-W(2) bond length is 1.62 Å. There is one shorter (1.81 Å) and one longer (2.80 Å) W(1)-Hg(1) bond length. In the second W site, W(2) is bonded in a 4-coordinate geometry to one W(1), two equivalent Mo(1), and one Hg(1) atom. There is one shorter (1.47 Å) and one longer (2.35 Å) W(2)-Mo(1) bond length. The W(2)-Hg(1) bond length is 1.93 Å. Mo(1) is bonded in a 1-coordinate geometry to two equivalent W(2) and one Hg(1) atom. The Mo(1)-Hg(1) bond length is 2.38 Å. Hg(1) is bonded in a 4-coordinate geometry to one W(2), two equivalent W(1), and one Mo(1) atom.