data_[Cs4Au4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1409]
_cell_length_b [6.9866]
_cell_length_c [8.7932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAuCl3]
_chemical_formula_sum '[Cs4 Au4 Cl12]'
_cell_volume [743.8325]
_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  0.1609  0.5000  0.2589  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1034  0.2379  0.8903  1.0
  Cl  Cl4  4  0.1675  0.0000  0.3895  1.0
]