data_[Ac16Co8Ir2]
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 [Cm]
_cell_length_a [20.3714]
_cell_length_b [4.2753]
_cell_length_c [13.9175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac8Co4Ir]
_chemical_formula_sum '[Ac16 Co8 Ir2]'
_cell_volume [909.6830]
_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
[
  Ac  Ac0  2  0.0420  0.5000  0.7283  1
  Ac  Ac1  2  0.1417  0.0000  0.5885  1
  Ac  Ac2  2  0.1635  0.0000  0.3269  1
  Ac  Ac3  2  0.2124  0.0000  0.0659  1
  Ac  Ac4  2  0.3000  0.5000  0.9232  1
  Ac  Ac5  2  0.3380  0.5000  0.6657  1
  Ac  Ac6  2  0.3668  0.5000  0.4042  1
  Ac  Ac7  2  0.4632  0.0000  0.2652  1
  Co  Co8  2  0.1388  0.5000  0.4352  1
  Co  Co9  2  0.1599  0.0000  0.8168  1
  Co  Co10  2  0.3443  0.5000  0.1805  1
  Co  Co11  2  0.3571  0.0000  0.5265  1
  Ir  Ir12  2  0.3272  0.0000  0.8055  1
]