data_NiHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2W
_chemical_formula_sum   'Ni1 Hg2 W1'
_cell_volume   69.91
_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
  Ni  Ni2  1  0.95  0.0  0.87  1.0
  Hg  Hg0  1  0.88  0.0  0.19  1.0
  Hg  Hg1  1  0.45  0.47  0.76  1.0
  W  W3  1  0.42  0.47  0.37  1.0

data_NiHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2W
_chemical_formula_sum   'Ni1 Hg2 W1'
_cell_volume   69.91
_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
  Ni  Ni0  1  0.95  0.0  0.87  1.0
  Hg  Hg1  1  0.45  0.47  0.76  1.0
  Hg  Hg2  1  0.88  0.0  0.19  1.0
  W  W3  1  0.42  0.47  0.37  1.0

Ni Hg Hg W
Ni Hg Hg W 0 2 o - o 0 2 o o o 0 2 + - o 0 2 + o o 0 1 o o + 1 3 o - o 1 3 o o o 1 3 + - o 1 3 + o o 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 
WNiHg2 crystallizes in the triclinic P1 space group. W(1) is bonded in a 5-coordinate geometry to one Hg(2) and four equivalent Hg(1) atoms. The W(1)-Hg(2) bond length is 3.19 Å. There are a spread of W(1)-Hg(1) bond distances ranging from 2.44-2.64 Å. Ni(1) is bonded in a 5-coordinate geometry to one Hg(1) and four equivalent Hg(2) atoms. The Ni(1)-Hg(1) bond length is 2.59 Å. There are a spread of Ni(1)-Hg(2) bond distances ranging from 2.19-2.33 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to four equivalent W(1) and one Ni(1) atom. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one W(1) and four equivalent Ni(1) atoms.