data_[Ta2Te6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1916]
_cell_length_b [3.6714]
_cell_length_c [10.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTe3]
_chemical_formula_sum '[Ta2 Te6]'
_cell_volume [234.0786]
_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  0.2419  0.7500  0.6731  1.0
  Te  Te1  2  0.0599  0.2500  0.8301  1.0
  Te  Te2  2  0.2248  0.2500  0.4625  1.0
  Te  Te3  2  0.4554  0.7500  0.1822  1.0
]