data_[Ti1Te4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0064]
_cell_length_b [7.5864]
_cell_length_c [7.6806]
_cell_angle_alpha [77.7468]
_cell_angle_beta [78.7616]
_cell_angle_gamma [74.6774]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti(Te2Cl3)2]
_chemical_formula_sum '[Ti1 Te4 Cl6]'
_cell_volume [380.5762]
_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  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.2934  0.4517  0.4003  1.0
  Te  Te2  2  0.4667  0.3019  0.7041  1.0
  Cl  Cl3  2  0.1565  0.0838  0.6993  1.0
  Cl  Cl4  2  0.2149  0.1199  0.1132  1.0
  Cl  Cl5  2  0.2319  0.7062  0.0180  1.0
]