data_[Co12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [11.4861]
_cell_length_b [4.4996]
_cell_length_c [4.9531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Co3Ir2]
_chemical_formula_sum '[Co12 Ir8]'
_cell_volume [254.1929]
_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
[
  Co  Co0  4  0.0923  0.4145  0.1363  1.0
  Co  Co1  4  0.4127  0.0899  0.5845  1.0
  Co  Co2  2  0.0000  0.0910  0.7500  1.0
  Co  Co3  2  0.5000  0.4104  0.2500  1.0
  Ir  Ir4  4  0.1899  0.0912  0.5277  1.0
  Ir  Ir5  4  0.3045  0.4067  0.9253  1.0
]