data_[Cs4Sb4Au12]
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 [P2_1/c]
_cell_length_a [8.5454]
_cell_length_b [7.9629]
_cell_length_c [9.8811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSbAu3]
_chemical_formula_sum '[Cs4 Sb4 Au12]'
_cell_volume [651.1863]
_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  0.2551  0.6738  0.5209  1.0
  Sb  Sb1  4  0.1852  0.1830  0.3805  1.0
  Au  Au2  4  0.0265  0.0584  0.7144  1.0
  Au  Au3  4  0.3119  0.2048  0.6630  1.0
  Au  Au4  4  0.4508  0.0170  0.3469  1.0
]