data_[Ac8Ge20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.4321]
_cell_length_b [12.3717]
_cell_length_c [6.2223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2Ge5Ir3]
_chemical_formula_sum '[Ac8 Ge20 Ir12]'
_cell_volume [803.0601]
_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  0.2335  0.3694  0.0000  1
  Ge  Ge1  8  0.0000  0.2322  0.2500  1
  Ge  Ge2  8  0.1518  0.1041  0.0000  1
  Ge  Ge3  4  0.0000  0.5000  0.2500  1
  Ir  Ir4  8  0.1119  0.3619  0.5000  1
  Ir  Ir5  4  0.0000  0.0000  0.2500  1
]