data_Mg5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   20.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5W
_chemical_formula_sum   'Mg5 W1'
_cell_volume   120.22
_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
  Mg  Mg0  1  0.0  0.0  0.15  1.0
  Mg  Mg1  1  0.0  0.0  0.83  1.0
  Mg  Mg2  1  0.0  0.0  0.52  1.0
  Mg  Mg3  1  0.49  0.0  0.93  1.0
  Mg  Mg4  1  0.49  0.0  0.82  1.0
  W  W5  1  0.49  0.0  0.55  1.0

data_Mg5W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.98
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5W
_chemical_formula_sum   'Mg5 W1'
_cell_volume   120.22
_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
  Mg  Mg0  1  0.07  0.49  0.07  1.0
  Mg  Mg1  1  0.17  0.0  0.17  1.0
  Mg  Mg2  1  0.18  0.49  0.18  1.0
  Mg  Mg3  1  0.48  0.0  0.48  1.0
  Mg  Mg4  1  0.85  0.0  0.85  1.0
  W  W5  1  0.45  0.49  0.45  1.0

Mg Mg Mg Mg Mg W
Mg5W crystallizes in the triclinic P1 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(1), and two equivalent Mg(4) atoms. The Mg(1)-Mg(2) bond length is 2.65 Å. The Mg(1)-Mg(3) bond length is 3.05 Å. Both Mg(1)-Mg(1) bond lengths are 2.96 Å. There is one shorter (3.04 Å) and one longer (3.14 Å) Mg(1)-Mg(4) bond length. In the second Mg site, Mg(2) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(5) atoms to form a mixture of distorted edge and corner-sharing MgMg8 hexagonal bipyramids. The Mg(2)-Mg(3) bond length is 2.59 Å. Both Mg(2)-Mg(2) bond lengths are 2.96 Å. There is one shorter (2.56 Å) and one longer (2.68 Å) Mg(2)-Mg(4) bond length. There is one shorter (2.43 Å) and one longer (2.55 Å) Mg(2)-Mg(5) bond length. In the third Mg site, Mg(3) is bonded in a distorted linear geometry to one Mg(1), one Mg(2), and two equivalent W(1) atoms. There is one shorter (2.44 Å) and one longer (2.56 Å) Mg(3)-W(1) bond length. In the fourth Mg site, Mg(4) is bonded in a single-bond geometry to one Mg(5), two equivalent Mg(1), and two equivalent Mg(2) atoms. The Mg(4)-Mg(5) bond length is 0.90 Å. In the fifth Mg site, Mg(5) is bonded in a linear geometry to one Mg(4), two equivalent Mg(2), and one W(1) atom. The Mg(5)-W(1) bond length is 2.26 Å. W(1) is bonded in a distorted T-shaped geometry to one Mg(5) and two equivalent Mg(3) atoms.