data_[Cs4Sb16Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.7876]
_cell_length_b [9.7876]
_cell_length_c [13.7589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsSb4Au9]
_chemical_formula_sum '[Cs4 Sb16 Au36]'
_cell_volume [1318.0712]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.2500  1
  Sb  Sb1  16  0.1881  0.3119  0.3707  1
  Au  Au2  16  0.0134  0.2026  0.0000  1
  Au  Au3  16  0.1157  0.3843  0.1757  1
  Au  Au4  4  0.0000  0.5000  0.0000  1
]