data_[Ta6Te12]
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 [C2/m]
_cell_length_a [15.2821]
_cell_length_b [3.6674]
_cell_length_c [9.6665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTe2]
_chemical_formula_sum '[Ta6 Te12]'
_cell_volume [499.5843]
_cell_formula_units_Z [6]
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  4  0.1380  0.5000  0.2872  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.0079  0.0000  0.3058  1.0
  Te  Te3  4  0.1457  0.5000  0.0141  1.0
  Te  Te4  4  0.2071  0.5000  0.6161  1.0
]