data_[Ac20Co4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0290]
_cell_length_b [9.2230]
_cell_length_c [11.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac5CoIr]
_chemical_formula_sum '[Ac20 Co4 Ir4]'
_cell_volume [1056.7896]
_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
[
  Ac  Ac0  8  0.1058  0.1784  0.6492  1
  Ac  Ac1  8  0.1835  0.4572  0.0079  1
  Ac  Ac2  4  0.0000  0.2432  0.2500  1
  Co  Co3  4  0.2500  0.2500  0.5000  1
  Ir  Ir4  4  0.0000  0.4376  0.7500  1
]