data_[Ac20Hg8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.2124]
_cell_length_b [8.9502]
_cell_length_c [9.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac5Hg2Ir]
_chemical_formula_sum '[Ac20 Hg8 Ir4]'
_cell_volume [1140.8201]
_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  0.0700  0.5327  0.1748  1
  Ac  Ac1  4  0.0109  0.7500  0.5409  1
  Ac  Ac2  4  0.2007  0.2500  0.8883  1
  Ac  Ac3  4  0.2089  0.7500  0.8498  1
  Hg  Hg4  8  0.1722  0.0320  0.5906  1
  Ir  Ir5  4  0.0038  0.2500  0.0458  1
]