data_[Ta12Te24Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3774]
_cell_length_b [7.3774]
_cell_length_c [26.1135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta4Te8Pb]
_chemical_formula_sum '[Ta12 Te24 Pb3]'
_cell_volume [1230.8551]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Ta  Ta1  3  0.0000  0.0000  0.0000  1
  Te  Te2  18  0.0011  0.5006  0.2629  1
  Te  Te3  6  0.0000  0.0000  0.2631  1
  Pb  Pb4  3  -0.0000  -0.0000  0.5000  1
]