data_[Co4Ir16Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8098]
_cell_length_b [11.4199]
_cell_length_c [7.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CoIr4Ru]
_chemical_formula_sum '[Co4 Ir16 Ru4]'
_cell_volume [332.2856]
_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  0.0000  0.1658  0.0528  1
  Ir  Ir1  4  0.0000  0.0018  0.8036  1
  Ir  Ir2  4  0.0000  0.1677  0.5531  1
  Ir  Ir3  4  0.0000  0.3307  0.8016  1
  Ru  Ru4  4  0.0000  0.3317  0.3031  1
  Ir  Ir5  4  0.0000  0.4969  0.5523  1
]