data_[Ti4V2Te8]
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 [Cm]
_cell_length_a [14.2170]
_cell_length_b [3.9100]
_cell_length_c [7.0186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ti2VTe4]
_chemical_formula_sum '[Ti4 V2 Te8]'
_cell_volume [340.9741]
_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  0.2536  0.5000  0.7091  1.0
  Ti  Ti1  2  0.4981  0.5000  0.9974  1.0
  V  V2  2  0.2478  0.0000  0.2897  1.0
  Te  Te3  2  0.1100  0.0000  0.4518  1.0
  Te  Te4  2  0.1362  0.5000  0.9670  1.0
  Te  Te5  2  0.3653  0.0000  0.0426  1.0
  Te  Te6  2  0.3889  0.5000  0.5423  1.0
]