data_[Re2Ir6Ru4]
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 [P2_1/m]
_cell_length_a [5.4502]
_cell_length_b [3.8655]
_cell_length_c [8.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ReIr3Ru2]
_chemical_formula_sum '[Re2 Ir6 Ru4]'
_cell_volume [173.0917]
_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
[
  Re  Re0  2  0.1313  0.2500  0.2490  1.0
  Ru  Ru1  2  0.1232  0.2500  0.9195  1.0
  Ir  Ir2  2  0.1252  0.2500  0.5824  1.0
  Ir  Ir3  2  0.3684  0.7500  0.0892  1.0
  Ru  Ru4  2  0.3709  0.7500  0.4120  1.0
  Ir  Ir5  2  0.3746  0.7500  0.7476  1.0
]