data_CuHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgW2
_chemical_formula_sum   'Cu1 Hg1 W2'
_cell_volume   64.22
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  W  W2  1  0.39  0.39  0.48  1.0
  W  W3  1  0.39  0.39  0.87  1.0

data_CuHgW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuHgW2
_chemical_formula_sum   'Cu2 Hg2 W4'
_cell_volume   128.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.17  1.0
  W  W2  2  0.39  0.0  0.48  1.0
  W  W3  2  0.39  0.0  0.87  1.0

Cu Hg W W
W2CuHg crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 9-coordinate geometry to one W(2), four equivalent W(1), and four equivalent Hg(1) atoms. The W(1)-W(2) bond length is 3.22 Å. All W(1)-W(1) bond lengths are 2.77 Å. There are a spread of W(1)-Hg(1) bond distances ranging from 2.98-3.52 Å. In the second W site, W(2) is bonded in a 1-coordinate geometry to one W(1) and four equivalent Cu(1) atoms. There are a spread of W(2)-Cu(1) bond distances ranging from 1.88-2.65 Å. Cu(1) is bonded in a 5-coordinate geometry to four equivalent W(2) and one Hg(1) atom. The Cu(1)-Hg(1) bond length is 1.46 Å. Hg(1) is bonded in a single-bond geometry to four equivalent W(1) and one Cu(1) atom.