data_[Ac4Hg4Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9799]
_cell_length_b [4.7122]
_cell_length_c [5.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcHgAu3]
_chemical_formula_sum '[Ac4 Hg4 Au12]'
_cell_volume [506.8741]
_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  0.1073  0.5000  0.9633  1
  Hg  Hg1  4  0.1315  0.0000  0.5125  1
  Au  Au2  4  0.0003  0.0000  0.7505  1
  Au  Au3  4  0.2095  0.5000  0.4289  1
  Au  Au4  4  0.2160  0.0000  0.0688  1
]