data_[Cs4Li4Au4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4733]
_cell_length_b [7.6671]
_cell_length_c [7.8522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLiAuBr3]
_chemical_formula_sum '[Cs4 Li4 Au4 Br12]'
_cell_volume [904.8398]
_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  0.2255  0.5000  0.2364  1.0
  Li  Li1  4  0.0433  0.0000  0.2415  1.0
  Au  Au2  4  0.0000  0.2732  0.5000  1.0
  Br  Br3  8  0.0633  0.2543  0.8136  1.0
  Br  Br4  4  0.2008  0.0000  0.2854  1.0
]