data_MgMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.02
_cell_angle_beta   129.72
_cell_angle_gamma   62.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoW2
_chemical_formula_sum   'Mg1 Mo1 W2'
_cell_volume   65.97
_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
  Mo  Mo1  1  0.0  0.0  0.55  1.0
  W  W2  1  0.6  0.0  0.43  1.0
  W  W3  1  0.0  0.26  0.12  1.0

data_MgMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.53
_cell_length_c   5.33
_cell_angle_alpha   115.14
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoW2
_chemical_formula_sum   'Mg1 Mo1 W2'
_cell_volume   65.97
_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
  Mo  Mo1  1  0.45  0.45  0.45  1.0
  W  W2  1  0.17  0.57  0.17  1.0
  W  W3  1  0.88  0.14  0.14  1.0

Mg Mo W W
MgW2Mo crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one W(1), one W(2), and one Mo(1) atom. The Mg(1)-W(1) bond length is 2.48 Å. The Mg(1)-W(2) bond length is 0.95 Å. The Mg(1)-Mo(1) bond length is 2.93 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. The W(1)-Mo(1) bond length is 1.78 Å. In the second W site, W(2) is bonded in a single-bond geometry to one Mg(1) and two equivalent Mo(1) atoms. There is one shorter (2.07 Å) and one longer (2.44 Å) W(2)-Mo(1) bond length. Mo(1) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent W(2) atoms.