data_Hg2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.39
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   32.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsW
_chemical_formula_sum   'Hg2 As1 W1'
_cell_volume   78.95
_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  Hg1  1  0.09  0.0  0.17  1.0
  Hg  Hg2  1  0.6  0.0  0.0  1.0
  As  As0  1  0.59  0.0  0.65  1.0
  W  W3  1  0.6  0.0  0.44  1.0

data_Hg2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.27
_cell_length_c   5.39
_cell_angle_alpha   99.84
_cell_angle_beta   90.0
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsW
_chemical_formula_sum   'Hg2 As1 W1'
_cell_volume   78.95
_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  0.4  1.0  1.0
  Hg  Hg1  1  0.0  0.91  0.83  1.0
  As  As2  1  0.0  0.41  0.35  1.0
  W  W3  1  0.0  0.4  0.56  1.0

Hg Hg As W
Hg Hg As W 0 1 o - o 0 1 - o o 0 1 o o o 0 0 + - o 0 3 - o o 0 3 o o o 0 2 o o o 1 2 o o - 2 3 o o o 
WHg2As crystallizes in the triclinic P1 space group. W(1) is bonded in a 1-coordinate geometry to one Hg(2), three equivalent Hg(1), and one As(1) atom. The W(1)-Hg(2) bond length is 2.36 Å. There are a spread of W(1)-Hg(1) bond distances ranging from 2.85-3.51 Å. The W(1)-As(1) bond length is 1.12 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to three equivalent W(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.94 Å. There is one shorter (2.57 Å) and one longer (3.00 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to one W(1), two equivalent Hg(1), and one As(1) atom. The Hg(2)-As(1) bond length is 1.92 Å. As(1) is bonded in a distorted linear geometry to one W(1) and one Hg(2) atom.