data_[Re2Ru4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2737]
_cell_length_b [2.9887]
_cell_length_c [4.9232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReRu2Pb]
_chemical_formula_sum '[Re2 Ru4 Pb2]'
_cell_volume [133.6513]
_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
[
  Re  Re0  2  0.2371  0.5000  0.1827  1
  Ru  Ru1  2  0.0041  0.0000  0.0356  1
  Ru  Ru2  2  0.2585  0.0000  0.7599  1
  Pb  Pb3  2  0.0002  0.5000  0.5218  1
]