data_[Ta8Ag8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3123]
_cell_length_b [12.5466]
_cell_length_c [5.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TaAgTe3]
_chemical_formula_sum '[Ta8 Ag8 Te24]'
_cell_volume [1139.4069]
_cell_formula_units_Z [8]
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  0.0000  0.0611  0.2500  1.0
  Ta  Ta1  4  0.0000  0.2022  0.7500  1.0
  Ag  Ag2  8  0.0647  0.4182  0.0594  1.0
  Te  Te3  8  0.1181  0.3664  0.5755  1.0
  Te  Te4  8  0.1267  0.2120  0.1343  1.0
  Te  Te5  8  0.1315  0.0728  0.6299  1.0
]