data_[Ti4Nb2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5783]
_cell_length_b [3.7527]
_cell_length_c [7.0893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2NbTe4]
_chemical_formula_sum '[Ti4 Nb2 Te8]'
_cell_volume [341.7576]
_cell_formula_units_Z [2]
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  4  0.2484  0.0000  0.2992  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1071  0.0000  0.4487  1.0
  Te  Te3  4  0.1383  0.5000  0.9608  1.0
]