data_[Ir8Ru4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9679]
_cell_length_b [2.7558]
_cell_length_c [6.4827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir2Ru]
_chemical_formula_sum '[Ir8 Ru4]'
_cell_volume [172.6763]
_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
[
  Ir  Ir0  4  0.0294  0.0000  0.3093  1.0
  Ir  Ir1  4  0.1404  0.5000  0.0301  1.0
  Ru  Ru2  4  0.1947  0.5000  0.6374  1.0
]