data_[Ba4Ce8Au4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7954]
_cell_length_b [7.7954]
_cell_length_c [14.2419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BaCe2AuS5]
_chemical_formula_sum '[Ba4 Ce8 Au4 S20]'
_cell_volume [865.4495]
_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  0.0000  0.2500  1
  Ce  Ce1  8  0.1600  0.3400  0.0000  1
  Au  Au2  4  0.0000  0.5000  0.2500  1
  S  S3  16  0.1538  0.3462  0.3760  1
  S  S4  4  0.0000  0.0000  0.0000  1
]