data_[Ac4Hg5Au2]
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 [P2/m]
_cell_length_a [8.2903]
_cell_length_b [4.1277]
_cell_length_c [9.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Hg5Au2]
_chemical_formula_sum '[Ac4 Hg5 Au2]'
_cell_volume [338.7725]
_cell_formula_units_Z [1]
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  2  0.2049  0.5000  0.1436  1
  Ac  Ac1  2  0.2376  0.5000  0.5949  1
  Hg  Hg2  2  0.1451  0.0000  0.8736  1
  Hg  Hg3  2  0.4386  0.0000  0.3449  1
  Hg  Hg4  1  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0745  0.0000  0.3696  1
]