data_[Ac20Hg4Ir4]
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 [C2/c]
_cell_length_a [13.1183]
_cell_length_b [7.8375]
_cell_length_c [11.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac5HgIr]
_chemical_formula_sum '[Ac20 Hg4 Ir4]'
_cell_volume [1129.3467]
_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  0.1091  0.3306  0.5167  1
  Ac  Ac1  8  0.2134  0.1654  0.1348  1
  Ac  Ac2  4  0.0000  0.0510  0.7500  1
  Hg  Hg3  4  0.0000  0.4725  0.7500  1
  Ir  Ir4  4  0.0000  0.0000  0.0000  1
]