data_[Ba4Au4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5947]
_cell_length_b [6.2961]
_cell_length_c [11.9795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaAuCl5]
_chemical_formula_sum '[Ba4 Au4 Cl20]'
_cell_volume [816.9535]
_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  0.0000  0.3443  0.7500  1.0
  Au  Au1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.1546  0.5571  0.5321  1.0
  Cl  Cl3  8  0.1812  0.0693  0.6350  1.0
  Cl  Cl4  4  0.0000  0.1585  0.2500  1.0
]