data_[Re8Ir4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  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 [10.0406]
_cell_length_b [2.7536]
_cell_length_c [9.6297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re2IrRu]
_chemical_formula_sum '[Re8 Ir4 Ru4]'
_cell_volume [233.1914]
_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
[
  Re  Re0  4  0.1225  0.0000  0.7287  1.0
  Re  Re1  4  0.1246  0.0000  0.2325  1.0
  Ir  Ir2  4  0.1208  0.5000  0.9757  1.0
  Ru  Ru3  4  0.1234  0.5000  0.4788  1.0
]