data_[Ir1Ru1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2769]
_cell_length_b [3.5857]
_cell_length_c [6.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [IrRuPb2]
_chemical_formula_sum '[Ir1 Ru1 Pb2]'
_cell_volume [76.5023]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Ir  Ir1  1  0.5000  0.5000  0.5000  1
  Pb  Pb2  2  0.0000  0.0000  0.2473  1
]