data_[Ac12Cd2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1929]
_cell_length_b [5.9363]
_cell_length_c [12.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6CdIr2]
_chemical_formula_sum '[Ac12 Cd2 Ir4]'
_cell_volume [666.0160]
_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  0.0090  0.0000  0.7877  1
  Ac  Ac1  4  0.1518  0.5000  0.3897  1
  Ac  Ac2  4  0.1694  0.5000  0.9170  1
  Cd  Cd3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.1614  0.5000  0.1555  1
]