data_[Ba1Ag2Au1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2429]
_cell_length_b [8.8708]
_cell_length_c [9.6832]
_cell_angle_alpha [75.0645]
_cell_angle_beta [88.3667]
_cell_angle_gamma [85.1341]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2AuCl8]
_chemical_formula_sum '[Ba1 Ag2 Au1 Cl8]'
_cell_volume [433.5614]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.4666  0.1812  0.3936  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1720  0.7658  0.1479  1.0
  Cl  Cl4  2  0.2263  0.1427  0.1191  1.0
  Cl  Cl5  2  0.2513  0.0619  0.6120  1.0
  Cl  Cl6  2  0.4726  0.5785  0.7914  1.0
]