data_[Ac6Hg14Au4]
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 [Cmmm]
_cell_length_a [4.9527]
_cell_length_b [30.9915]
_cell_length_c [4.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac3Hg7Au2]
_chemical_formula_sum '[Ac6 Hg14 Au4]'
_cell_volume [677.9892]
_cell_formula_units_Z [2]
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  0.1725  0.0000  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  4  0.0000  0.0806  0.5000  1
  Hg  Hg3  4  0.0000  0.2710  0.5000  1
  Hg  Hg4  4  0.0000  0.4190  0.0000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.0000  0.3601  0.5000  1
]