data_MgTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2W
_chemical_formula_sum   'Mg1 Te2 W1'
_cell_volume   87.85
_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
  Te  Te1  1  0.68  0.68  0.22  1.0
  Te  Te2  1  0.68  0.68  0.56  1.0
  W  W3  1  0.0  0.0  0.89  1.0

data_MgTe2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTe2W
_chemical_formula_sum   'Mg2 Te4 W2'
_cell_volume   175.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.18  0.5  0.22  1.0
  Te  Te2  2  0.18  0.5  0.56  1.0
  W  W3  2  0.0  0.0  0.89  1.0

Mg Te Te W
MgWTe2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted single-bond geometry to one W(1) and one Te(1) atom. The Mg(1)-W(1) bond length is 0.85 Å. The Mg(1)-Te(1) bond length is 2.31 Å. W(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent Te(2) atoms. There is one shorter (2.99 Å) and two longer (3.61 Å) W(1)-Te(2) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.62 Å. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to three equivalent W(1), one Te(1), and four equivalent Te(2) atoms. All Te(2)-Te(2) bond lengths are 3.36 Å.