data_[Al12Co6Ni3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [R-3m]
_cell_length_a [4.1258]
_cell_length_b [4.1258]
_cell_length_c [20.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al4Co2NiIr]
_chemical_formula_sum '[Al12 Co6 Ni3 Ir3]'
_cell_volume [297.6913]
_cell_formula_units_Z [3]
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
[
  Al  Al0  6  0.0000  0.0000  0.1270  1.0
  Al  Al1  6  0.0000  0.0000  0.3773  1.0
  Co  Co2  6  0.0000  0.0000  0.2496  1.0
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1.0
  Ir  Ir4  3  0.0000  0.0000  0.0000  1.0
]