data_[Co2Ni16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9456]
_cell_length_b [3.6046]
_cell_length_c [5.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co(Ni4Ir)2]
_chemical_formula_sum '[Co2 Ni16 Ir4]'
_cell_volume [256.6639]
_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
[
  Co  Co0  2  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.0444  0.0000  0.7301  1
  Ni  Ni2  4  0.0869  0.5000  0.4473  1
  Ni  Ni3  4  0.1318  0.0000  0.1765  1
  Ni  Ni4  4  0.1791  0.5000  0.9136  1
  Ir  Ir5  4  0.2247  0.0000  0.6401  1
]