data_[Ti2Cr4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2868]
_cell_length_b [3.9591]
_cell_length_c [7.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(CrTe2)2]
_chemical_formula_sum '[Ti2 Cr4 Te8]'
_cell_volume [350.2892]
_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  0.0000  0.0000  1.0
  Cr  Cr1  4  0.2412  0.5000  0.7245  1.0
  Te  Te2  4  0.1224  0.0000  0.4487  1.0
  Te  Te3  4  0.1339  0.5000  0.9694  1.0
]