data_[Th12Sb10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8187]
_cell_length_b [13.5558]
_cell_length_c [7.8394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Sb5Pb]
_chemical_formula_sum '[Th12 Sb10 Pb2]'
_cell_volume [783.4818]
_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  8  0.2482  0.3322  0.7482  1
  Th  Th1  4  0.2481  0.5000  0.2512  1
  Sb  Sb2  4  0.0000  0.1657  0.5000  1
  Sb  Sb3  4  0.0000  0.3331  0.0000  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
]