data_[Ac12Al4Hg4]
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 [Cmcm]
_cell_length_a [5.7246]
_cell_length_b [21.2186]
_cell_length_c [5.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3AlHg]
_chemical_formula_sum '[Ac12 Al4 Hg4]'
_cell_volume [697.4781]
_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  4  0.0000  0.0623  0.2500  1
  Ac  Ac1  4  0.0000  0.2472  0.2500  1
  Ac  Ac2  4  0.0000  0.4298  0.2500  1
  Al  Al3  4  0.0000  0.1546  0.7500  1
  Hg  Hg4  4  0.0000  0.3445  0.7500  1
]