data_MgHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.92
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg2W
_chemical_formula_sum   'Mg1 Hg2 W1'
_cell_volume   79.06
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.54  0.46  0.0  1.0
  Hg  Hg1  1  0.0  0.46  0.6  1.0
  W  W3  1  0.54  0.0  0.6  1.0

data_MgHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.92
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg2W
_chemical_formula_sum   'Mg1 Hg2 W1'
_cell_volume   79.06
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  -0.0  0.46  0.6  1.0
  Hg  Hg2  1  0.54  0.46  0.0  1.0
  W  W3  1  0.54  0.0  0.6  1.0

Mg Hg Hg W
Mg Hg Hg W 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 - o - 0 3 o o - 0 0 + o o 0 2 o o - 1 2 o o - 1 2 + o - 1 1 + o o 1 3 o o - 2 3 - o o 2 3 - + o 2 3 o o o 2 3 o + o 2 2 + o o 3 3 + o o 
MgWHg2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), four equivalent W(1), two equivalent Hg(2), and four equivalent Hg(1) atoms. Both Mg(1)-Mg(1) bond lengths are 3.09 Å. There are a spread of Mg(1)-W(1) bond distances ranging from 2.51-3.55 Å. There is one shorter (3.07 Å) and one longer (3.37 Å) Mg(1)-Hg(2) bond length. There are a spread of Mg(1)-Hg(1) bond distances ranging from 2.67-3.14 Å. W(1) is bonded in a 2-coordinate geometry to four equivalent Mg(1) and four equivalent Hg(2) atoms. There are a spread of W(1)-Hg(2) bond distances ranging from 2.67-3.14 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to four equivalent Mg(1) and two equivalent Hg(2) atoms. There is one shorter (2.51 Å) and one longer (2.67 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to two equivalent Mg(1), four equivalent W(1), and two equivalent Hg(1) atoms.