data_[Ta8Te16Pb4]
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 [C2/m]
_cell_length_a [14.2174]
_cell_length_b [8.4031]
_cell_length_c [8.2092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Te4Pb]
_chemical_formula_sum '[Ta8 Te16 Pb4]'
_cell_volume [888.7992]
_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  4  0.2500  0.2500  0.0000  1
  Ta  Ta1  2  0.0000  0.5000  0.0000  1
  Ta  Ta2  2  0.0000  0.5000  0.5000  1
  Te  Te3  8  0.0314  0.2694  0.7780  1
  Te  Te4  4  0.2164  0.5000  0.2015  1
  Te  Te5  4  0.2287  0.5000  0.7404  1
  Pb  Pb6  4  0.1126  0.0000  0.4123  1
]