data_[Ti2V2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3682]
_cell_length_b [3.6878]
_cell_length_c [6.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiVTe4]
_chemical_formula_sum '[Ti2 V2 Te8]'
_cell_volume [331.4646]
_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  2  0.0000  0.5000  0.5000  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1227  0.5000  0.9593  1.0
  Te  Te3  4  0.1247  0.0000  0.4550  1.0
]