data_Mg3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.29
_cell_angle_alpha   100.03
_cell_angle_beta   100.03
_cell_angle_gamma   32.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3W
_chemical_formula_sum   'Mg3 W1'
_cell_volume   75.46
_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
  Mg  Mg1  1  0.3  0.0  0.4  1.0
  Mg  Mg2  1  0.78  0.0  0.8  1.0
  W  W3  1  0.54  0.0  0.6  1.0

data_Mg3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.22
_cell_length_c   5.29
_cell_angle_alpha   100.03
_cell_angle_beta   90.0
_cell_angle_gamma   106.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3W
_chemical_formula_sum   'Mg3 W1'
_cell_volume   75.46
_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
  Mg  Mg1  1  0.0  0.22  0.2  1.0
  Mg  Mg2  1  0.0  0.7  0.6  1.0
  W  W3  1  0.0  0.46  0.4  1.0

Mg Mg Mg W
Mg Mg Mg W 0 2 - o - 1 3 o o o 2 3 o o o 
Mg3W crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg3W cluster. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(3) atom. The Mg(1)-Mg(3) bond length is 1.43 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one W(1) atom. The Mg(2)-W(1) bond length is 1.49 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Mg(1) and one W(1) atom. The Mg(3)-W(1) bond length is 1.49 Å. W(1) is bonded in a linear geometry to one Mg(2) and one Mg(3) atom.