data_[Ir6Ru4]
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 [P2_1/m]
_cell_length_a [4.7676]
_cell_length_b [4.3614]
_cell_length_c [7.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ir3Ru2]
_chemical_formula_sum '[Ir6 Ru4]'
_cell_volume [142.8490]
_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  2  0.0671  0.2500  0.3036  1
  Ir  Ir1  2  0.1346  0.7500  0.1027  1
  Ru  Ru2  2  0.2654  0.2500  0.6972  1
  Ru  Ru3  2  0.3338  0.7500  0.5002  1
  Ir  Ir4  2  0.4681  0.2500  0.1014  1
]