data_[Fe2Ru4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [8.6774]
_cell_length_b [2.9700]
_cell_length_c [5.1548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeRu2Pb]
_chemical_formula_sum '[Fe2 Ru4 Pb2]'
_cell_volume [130.1633]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.5000  1
  Ru  Ru1  4  0.2387  0.5000  0.7046  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
]