data_Ti2MnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.36
_cell_angle_alpha   91.39
_cell_angle_beta   91.39
_cell_angle_gamma   103.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnTe
_chemical_formula_sum   'Ti2 Mn1 Te1'
_cell_volume   67.14
_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
  Ti  Ti2  1  0.34  0.22  0.68  1.0
  Ti  Ti3  1  0.34  0.78  0.68  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.8  0.0  0.0  1.0

data_Ti2MnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   103.68
_cell_angle_beta   91.39
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnTe
_chemical_formula_sum   'Ti2 Mn1 Te1'
_cell_volume   67.14
_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
  Ti  Ti0  1  0.68  0.34  0.22  1.0
  Ti  Ti1  1  0.68  0.34  0.78  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.8  0.0  1.0

Ti Ti Mn Te
Ti2MnTe crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Mn(1), and two equivalent Te(1) atoms. There is one shorter (1.96 Å) and one longer (2.58 Å) Ti(1)-Ti(2) bond length. There is one shorter (1.97 Å) and one longer (2.73 Å) Ti(1)-Mn(1) bond length. There is one shorter (2.75 Å) and one longer (3.43 Å) Ti(1)-Te(1) bond length. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to two equivalent Ti(1) and one Te(1) atom. The Ti(2)-Te(1) bond length is 2.35 Å. Mn(1) is bonded in a single-bond geometry to two equivalent Ti(1) and one Te(1) atom. The Mn(1)-Te(1) bond length is 0.89 Å. Te(1) is bonded in a distorted single-bond geometry to one Ti(2), two equivalent Ti(1), and one Mn(1) atom.