data_Mg2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   146.73
_cell_angle_beta   128.93
_cell_angle_gamma   62.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TeW
_chemical_formula_sum   'Mg2 Te1 W1'
_cell_volume   83.93
_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  0.77  1.0
  Mg  Mg1  1  0.67  0.0  0.57  1.0
  Te  Te2  1  0.0  0.0  0.27  1.0
  W  W3  1  0.0  0.52  0.36  1.0

data_Mg2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.03
_cell_length_c   5.84
_cell_angle_alpha   115.54
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TeW
_chemical_formula_sum   'Mg2 Te1 W1'
_cell_volume   83.93
_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  0.1  0.43  0.1  1.0
  Mg  Mg1  1  0.23  0.23  0.23  1.0
  Te  Te2  1  0.73  0.73  0.73  1.0
  W  W3  1  0.64  0.15  0.15  1.0

Mg Mg Te W
Mg2WTe crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent W(1), and two equivalent Te(1) atoms. The Mg(1)-Mg(2) bond length is 1.50 Å. There is one shorter (1.55 Å) and one longer (1.90 Å) Mg(1)-W(1) bond length. There is one shorter (2.91 Å) and one longer (2.92 Å) Mg(1)-Te(1) bond length. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and three equivalent Te(1) atoms. There is one shorter (2.26 Å) and one longer (2.30 Å) Mg(2)-W(1) bond length. There are a spread of Mg(2)-Te(1) bond distances ranging from 3.13-3.31 Å. W(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and three equivalent Te(1) atoms. There are a spread of W(1)-Te(1) bond distances ranging from 2.57-3.31 Å. Te(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent W(1), and two equivalent Te(1) atoms. Both Te(1)-Te(1) bond lengths are 3.34 Å.