data_[Cr4Ir8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.7153]
_cell_length_b [4.2812]
_cell_length_c [10.9111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CrIr2Rh]
_chemical_formula_sum '[Cr4 Ir8 Rh4]'
_cell_volume [220.2624]
_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
[
  Cr  Cr0  4  0.0789  0.2500  0.8142  1.0
  Ir  Ir1  4  0.0813  0.2500  0.0635  1.0
  Ir  Ir2  4  0.0921  0.2500  0.3071  1.0
  Rh  Rh3  4  0.0817  0.2500  0.5671  1.0
]