data_[Ta2Te2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.2052]
_cell_length_b [9.4507]
_cell_length_c [16.3135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TaTeCl3]
_chemical_formula_sum '[Ta2 Te2 Cl6]'
_cell_volume [1727.5470]
_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
[
  Ta  Ta0  2  0.0000  0.4414  0.5000  1
  Te  Te1  2  0.0000  0.7267  0.5000  1
  Cl  Cl2  4  0.1970  0.4614  0.4597  1
  Cl  Cl3  2  0.0000  0.1956  0.5000  1
]