data_[Al4Co2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1110]
_cell_length_b [2.8854]
_cell_length_c [4.2581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2CoIr]
_chemical_formula_sum '[Al4 Co2 Ir2]'
_cell_volume [106.2071]
_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
[
  Al  Al0  2  0.0078  0.0000  0.0559  1
  Al  Al1  2  0.2390  0.0000  0.6855  1
  Co  Co2  2  0.4999  0.0000  0.5659  1
  Ir  Ir3  2  0.2531  0.5000  0.1926  1
]