data_[Th10Te10Pb2]
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 [14.0515]
_cell_length_b [6.3103]
_cell_length_c [8.8767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th5Te5Pb]
_chemical_formula_sum '[Th10 Te10 Pb2]'
_cell_volume [747.8465]
_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  4  0.1664  0.0000  0.3346  1
  Th  Th1  4  0.1755  0.0000  0.8388  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.1548  0.5000  0.3444  1
  Te  Te4  4  0.1561  0.5000  0.8114  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Pb  Pb6  2  0.0000  0.0000  0.0000  1
]