data_[Ta4Te8]
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 [Pm]
_cell_length_a [19.1839]
_cell_length_b [6.2105]
_cell_length_c [19.1839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaTe2]
_chemical_formula_sum '[Ta4 Te8]'
_cell_volume [1979.3999]
_cell_formula_units_Z [4]
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  0.0105  0.2922  0.4305  1
  Ta  Ta1  2  0.9994  0.2870  0.5799  1
  Te  Te2  2  0.1299  0.2356  0.3976  1
  Te  Te3  2  0.8608  0.2333  0.4436  1
  Te  Te4  2  0.9955  0.2493  0.7158  1
  Te  Te5  1  0.1076  0.0000  0.5696  1
  Te  Te6  1  0.9004  0.5000  0.2956  1
]