data_Hg2W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   5.61
_cell_length_c   8.37
_cell_angle_alpha   60.03
_cell_angle_beta   41.09
_cell_angle_gamma   78.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2W3
_chemical_formula_sum   'Hg4 W6'
_cell_volume   186.79
_cell_formula_units_Z   2
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  0.96  0.52  0.54  1.0
  Hg  Hg1  1  0.72  0.14  0.54  1.0
  Hg  Hg2  1  0.38  0.72  0.12  1.0
  Hg  Hg3  1  0.3  0.93  0.12  1.0
  W  W4  1  0.35  0.21  0.08  1.0
  W  W5  1  0.33  0.44  0.08  1.0
  W  W6  1  0.77  0.85  0.5  1.0
  W  W7  1  0.75  0.63  0.5  1.0
  W  W8  1  0.84  0.83  0.06  1.0
  W  W9  1  0.42  0.41  0.47  1.0

data_Hg2W3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   7.39
_cell_angle_alpha   101.12
_cell_angle_beta   101.12
_cell_angle_gamma   119.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2W3
_chemical_formula_sum   'Hg4 W6'
_cell_volume   186.79
_cell_formula_units_Z   2
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  0.12  0.07  0.42  1.0
  Hg  Hg1  1  0.12  0.28  0.51  1.0
  Hg  Hg2  1  0.54  0.48  0.5  1.0
  Hg  Hg3  1  0.54  0.86  0.26  1.0
  W  W4  1  0.06  0.17  0.9  1.0
  W  W5  1  0.08  0.79  0.44  1.0
  W  W6  1  0.08  0.56  0.42  1.0
  W  W7  1  0.47  0.59  0.89  1.0
  W  W8  1  0.5  0.37  0.25  1.0
  W  W9  1  0.5  0.15  0.27  1.0

Hg Hg Hg Hg W W W W W W
W3Hg2 crystallizes in the triclinic P1 space group. There are six inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one W(2) and one Hg(4) atom. The W(1)-W(2) bond length is 1.23 Å. The W(1)-Hg(4) bond length is 1.53 Å. In the second W site, W(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and one Hg(3) atom. The W(2)-Hg(3) bond length is 1.94 Å. In the third W site, W(3) is bonded in a 2-coordinate geometry to one W(4) and one Hg(2) atom. The W(3)-W(4) bond length is 1.29 Å. The W(3)-Hg(2) bond length is 1.71 Å. In the fourth W site, W(4) is bonded in a 3-coordinate geometry to one W(3), one W(5), one Hg(1), and one Hg(2) atom. The W(4)-W(5) bond length is 2.76 Å. The W(4)-Hg(1) bond length is 1.76 Å. The W(4)-Hg(2) bond length is 2.63 Å. In the fifth W site, W(5) is bonded in a 4-coordinate geometry to one W(4), two equivalent W(6), and one Hg(3) atom. There is one shorter (2.36 Å) and one longer (3.30 Å) W(5)-W(6) bond length. The W(5)-Hg(3) bond length is 3.14 Å. In the sixth W site, W(6) is bonded in a 4-coordinate geometry to two equivalent W(5), one Hg(1), one Hg(2), and one Hg(3) atom. The W(6)-Hg(1) bond length is 3.00 Å. The W(6)-Hg(2) bond length is 2.69 Å. The W(6)-Hg(3) bond length is 2.77 Å. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one W(4) and one W(6) atom. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one W(3), one W(4), and one W(6) atom. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to one W(2), one W(5), one W(6), and one Hg(4) atom. The Hg(3)-Hg(4) bond length is 1.19 Å. In the fourth Hg site, Hg(4) is bonded in a 2-coordinate geometry to one W(1) and one Hg(3) atom.