data_[Ac10Au2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4548]
_cell_length_b [6.3779]
_cell_length_c [22.7779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac5AuSe4]
_chemical_formula_sum '[Ac10 Au2 Se8]'
_cell_volume [647.1781]
_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  0.5000  0.1994  1
  Ac  Ac1  4  0.0000  0.5000  0.4013  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.0000  0.0000  0.2016  1
  Se  Se5  4  0.0000  0.0000  0.3976  1
]