data_[Re4Ir8Rh4]
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 [Pnma]
_cell_length_a [4.7814]
_cell_length_b [4.3902]
_cell_length_c [11.0813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ReIr2Rh]
_chemical_formula_sum '[Re4 Ir8 Rh4]'
_cell_volume [232.6105]
_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  4  0.0790  0.2500  0.8145  1.0
  Ir  Ir1  4  0.0817  0.2500  0.0637  1.0
  Ir  Ir2  4  0.0869  0.2500  0.3113  1.0
  Rh  Rh3  4  0.0818  0.2500  0.5643  1.0
]