data_[Re4Ir8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0777]
_cell_length_b [2.7618]
_cell_length_c [6.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReIr2]
_chemical_formula_sum '[Re4 Ir8]'
_cell_volume [176.0405]
_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
[
  Re  Re0  2  0.0541  0.0000  0.6121  1.0
  Re  Re1  2  0.2240  0.5000  0.9454  1.0
  Ir  Ir2  2  0.0043  0.0000  0.9975  1.0
  Ir  Ir3  2  0.1646  0.5000  0.3364  1.0
  Ir  Ir4  2  0.3310  0.0000  0.6671  1.0
  Ir  Ir5  2  0.3887  0.0000  0.2748  1.0
]