data_[Ru4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1677]
_cell_length_b [3.2137]
_cell_length_c [7.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RuPb2]
_chemical_formula_sum '[Ru4 Pb8]'
_cell_volume [291.7656]
_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
[
  Ru  Ru0  4  0.1622  0.0000  0.0235  1
  Pb  Pb1  4  0.0223  0.5000  0.2209  1
  Pb  Pb2  4  0.1980  0.0000  0.6797  1
]