data_[Re4Ir4Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3971]
_cell_length_b [5.5097]
_cell_length_c [9.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ReIrRh2]
_chemical_formula_sum '[Re4 Ir4 Rh8]'
_cell_volume [230.7947]
_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  0.0000  0.0000  0.6667  1.0
  Re  Re1  2  0.5000  0.0000  0.3342  1.0
  Ir  Ir2  4  0.5000  0.2483  0.5851  1.0
  Rh  Rh3  4  0.0000  0.2479  0.4151  1.0
  Rh  Rh4  2  0.0000  0.0000  0.1665  1.0
  Rh  Rh5  2  0.5000  0.0000  0.8319  1.0
]