data_[Th8Ru2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9910]
_cell_length_b [5.8128]
_cell_length_c [8.6524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Th4RuPb]
_chemical_formula_sum '[Th8 Ru2 Pb2]'
_cell_volume [351.6098]
_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  0.2399  0.1697  0.7545  1
  Th  Th1  2  0.0000  0.2921  0.1767  1
  Th  Th2  2  0.0000  0.5934  0.5485  1
  Ru  Ru3  2  0.0000  0.0629  0.4731  1
  Pb  Pb4  2  0.0000  0.7093  0.9208  1
]