data_[Ir6Os4Ru2]
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 [P2_1/m]
_cell_length_a [5.4475]
_cell_length_b [3.8586]
_cell_length_c [8.2199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ir3Os2Ru]
_chemical_formula_sum '[Ir6 Os4 Ru2]'
_cell_volume [172.7820]
_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
[
  Os  Os0  2  0.1196  0.2500  0.9220  1.0
  Ir  Ir1  2  0.1245  0.2500  0.5839  1.0
  Ru  Ru2  2  0.1247  0.2500  0.2450  1.0
  Ir  Ir3  2  0.3729  0.7500  0.0872  1.0
  Ir  Ir4  2  0.3754  0.7500  0.7449  1.0
  Os  Os5  2  0.3782  0.7500  0.4188  1.0
]