data_[Ba4Sn4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5904]
_cell_length_b [5.7670]
_cell_length_c [11.5460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaSnAu5]
_chemical_formula_sum '[Ba4 Sn4 Au20]'
_cell_volume [638.5866]
_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  0.2447  0.2500  0.0567  1
  Sn  Sn1  4  0.1455  0.7500  0.8508  1
  Au  Au2  8  0.0767  0.0042  0.3011  1
  Au  Au3  4  0.0727  0.7500  0.0797  1
  Au  Au4  4  0.0803  0.2500  0.5179  1
  Au  Au5  4  0.1692  0.2500  0.7615  1
]