data_[Ir4Ru6]
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 [Pmmn]
_cell_length_a [2.6622]
_cell_length_b [9.5509]
_cell_length_c [19.2126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ir2Ru3]
_chemical_formula_sum '[Ir4 Ru6]'
_cell_volume [488.5173]
_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
[
  Ir  Ir0  4  0.0000  0.2687  0.3904  1
  Ru  Ru1  4  0.0000  0.3700  0.5162  1
  Ru  Ru2  2  0.0000  0.0000  0.5901  1
]