data_[Ta3Te2Cl2]
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 [P1]
_cell_length_a [4.9168]
_cell_length_b [5.4496]
_cell_length_c [19.4823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.0202]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta3(TeCl)2]
_chemical_formula_sum '[Ta3 Te2 Cl2]'
_cell_volume [518.1016]
_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
[
  Ta  Ta0  1  0.0383  0.0873  0.4678  1
  Ta  Ta1  1  0.0998  0.5859  0.5131  1
  Ta  Ta2  1  0.5552  0.3255  0.5083  1
  Te  Te3  1  0.4927  0.8723  0.4267  1
  Te  Te4  1  0.8667  0.4302  0.3834  1
  Cl  Cl5  1  0.2595  0.9906  0.5874  1
  Cl  Cl6  1  0.7873  0.4955  0.6134  1
]