data_[Ac16Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0119]
_cell_length_b [7.6307]
_cell_length_c [8.0480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8CuIr2]
_chemical_formula_sum '[Ac16 Cu2 Ir4]'
_cell_volume [860.2337]
_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  8  0.0379  0.2467  0.2776  1
  Ac  Ac1  4  0.2089  0.5000  0.6022  1
  Ac  Ac2  4  0.2097  0.0000  0.8810  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.1090  0.0000  0.5586  1
]