data_[Ta2Te6Cl2]
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 [P-1]
_cell_length_a [5.3189]
_cell_length_b [7.2374]
_cell_length_c [10.5735]
_cell_angle_alpha [97.8872]
_cell_angle_beta [101.0791]
_cell_angle_gamma [109.9580]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaTe3Cl]
_chemical_formula_sum '[Ta2 Te6 Cl2]'
_cell_volume [366.2631]
_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  0.1032  0.2142  0.9237  1
  Te  Te1  2  0.0803  0.1752  0.1833  1
  Te  Te2  2  0.1094  0.3408  0.6935  1
  Te  Te3  2  0.3513  0.6594  0.0621  1
  Cl  Cl4  2  0.3582  0.7015  0.4207  1
]