data_[Ac8As12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5113]
_cell_length_b [4.5305]
_cell_length_c [12.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2As3Au2]
_chemical_formula_sum '[Ac8 As12 Au8]'
_cell_volume [734.8872]
_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  0.0971  0.5000  0.9245  1
  Ac  Ac1  4  0.2427  0.5000  0.3443  1
  As  As2  4  0.0859  0.0000  0.1143  1
  As  As3  4  0.1077  0.5000  0.4490  1
  As  As4  4  0.1598  0.0000  0.8107  1
  Au  Au5  4  0.0668  0.0000  0.3135  1
  Au  Au6  4  0.1103  0.5000  0.6640  1
]