data_[Ba4As8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.8042]
_cell_length_b [6.7626]
_cell_length_c [11.0580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(AsAu)2]
_chemical_formula_sum '[Ba4 As8 Au8]'
_cell_volume [499.1914]
_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
[
  Ba  Ba0  4  0.1634  0.5000  0.2531  1.0
  As  As1  4  0.0000  0.2404  0.5000  1.0
  As  As2  4  0.1345  0.0000  0.1445  1.0
  Au  Au3  4  0.2247  0.0000  0.3868  1.0
  Au  Au4  4  0.2500  0.2500  0.0000  1.0
]