data_[Ac20Al8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.9764]
_cell_length_b [8.5409]
_cell_length_c [8.2119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac5(AlHg)2]
_chemical_formula_sum '[Ac20 Al8 Hg8]'
_cell_volume [1260.8111]
_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  16  0.1370  0.1840  0.3257  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.1140  0.6098  1
  Hg  Hg3  8  0.2147  0.0000  0.0000  1
]