data_[Ac6As4Au8]
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 [11.7735]
_cell_length_b [4.6464]
_cell_length_c [9.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3(AsAu2)2]
_chemical_formula_sum '[Ac6 As4 Au8]'
_cell_volume [475.1784]
_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  0.1669  0.5000  0.6607  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.1125  0.5000  0.2768  1
  Au  Au3  4  0.0441  0.0000  0.3764  1
  Au  Au4  4  0.2356  0.5000  0.0736  1
]