data_[Cr4Ir4Rh14]
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/m]
_cell_length_a [8.9616]
_cell_length_b [7.9407]
_cell_length_c [4.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr2Ir2Rh7]
_chemical_formula_sum '[Cr4 Ir4 Rh14]'
_cell_volume [326.9670]
_cell_formula_units_Z [2]
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  0.0172  0.5000  0.7143  1
  Ir  Ir1  4  0.0000  0.1735  0.5000  1
  Rh  Rh2  8  0.2447  0.1728  0.2488  1
  Rh  Rh3  4  0.2432  0.5000  0.2326  1
  Rh  Rh4  2  0.0000  0.0000  0.0000  1
]