data_[Ir20Os4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0022]
_cell_length_b [17.5003]
_cell_length_c [8.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ir5OsRu2]
_chemical_formula_sum '[Ir20 Os4 Ru8]'
_cell_volume [612.0946]
_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  8  0.0000  0.0309  0.6162  1
  Ru  Ru1  8  0.0000  0.1237  0.0985  1
  Ir  Ir2  8  0.0000  0.2905  0.5779  1
  Os  Os3  4  0.0000  0.1557  0.7500  1
  Ir  Ir4  4  0.0000  0.2651  0.2500  1
]