data_[Cr8Ir12Rh16]
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 [C2/c]
_cell_length_a [14.8678]
_cell_length_b [7.9955]
_cell_length_c [4.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr2Ir3Rh4]
_chemical_formula_sum '[Cr8 Ir12 Rh16]'
_cell_volume [515.2400]
_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  8  0.1816  0.3153  0.8999  1
  Ir  Ir1  8  0.2237  0.0967  0.5301  1
  Ir  Ir2  4  0.0000  0.3124  0.7500  1
  Rh  Rh3  8  0.0759  0.0830  0.1069  1
  Rh  Rh4  8  0.0944  0.3996  0.3267  1
]