data_[Ac6Cu18Ir4]
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 [Immm]
_cell_length_a [4.2902]
_cell_length_b [9.3889]
_cell_length_c [12.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Cu9Ir2]
_chemical_formula_sum '[Ac6 Cu18 Ir4]'
_cell_volume [517.5514]
_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  4  0.0000  0.0000  0.3084  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.2768  0.1183  1
  Cu  Cu3  8  0.0000  0.3548  0.3323  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
  Ir  Ir5  4  0.0000  0.2002  0.5000  1
]