data_MgSn2Te
_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   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Te
_chemical_formula_sum   'Mg1 Sn2 Te1'
_cell_volume   108.69
_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
  Sn  Sn1  1  0.39  0.0  0.38  1.0
  Sn  Sn2  1  0.0  0.0  0.76  1.0
  Te  Te3  1  0.0  0.39  0.38  1.0

data_MgSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.84
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Te
_chemical_formula_sum   'Mg1 Sn2 Te1'
_cell_volume   108.69
_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
  Sn  Sn1  1  0.38  0.99  0.99  1.0
  Sn  Sn2  1  0.76  0.76  0.76  1.0
  Te  Te3  1  0.99  0.38  0.99  1.0

Mg Sn Sn Te
MgSn2Te is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgSn2Te cluster. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one Sn(1), one Sn(2), and one Te(1) atom. The Mg(1)-Sn(1) bond length is 1.84 Å. The Mg(1)-Sn(2) bond length is 1.38 Å. The Mg(1)-Te(1) bond length is 1.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Mg(1) atom. Te(1) is bonded in a single-bond geometry to one Mg(1) atom.