data_[Ac16Tl4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6837]
_cell_length_b [5.6196]
_cell_length_c [7.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Tl2Au]
_chemical_formula_sum '[Ac16 Tl4 Au2]'
_cell_volume [857.1105]
_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  0.0173  0.0000  0.7734  1
  Ac  Ac1  4  0.0911  0.5000  0.4604  1
  Ac  Ac2  4  0.1519  0.5000  0.9828  1
  Ac  Ac3  4  0.2088  0.0000  0.3183  1
  Tl  Tl4  4  0.1857  0.0000  0.7559  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]