data_[Th2Te8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [16.5249]
_cell_length_b [4.5958]
_cell_length_c [8.2130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th(Te2Pb)2]
_chemical_formula_sum '[Th2 Te8 Pb4]'
_cell_volume [552.9228]
_cell_formula_units_Z [2]
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
[
  Th  Th0  2  0.0000  0.0000  0.0000  1
  Te  Te1  4  0.1152  0.0000  0.4299  1
  Te  Te2  4  0.1238  0.5000  0.9746  1
  Pb  Pb3  4  0.2279  0.5000  0.6993  1
]