data_[Cs2Au4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1763]
_cell_length_b [5.0894]
_cell_length_c [11.4621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(AuBr3)2]
_chemical_formula_sum '[Cs2 Au4 Br12]'
_cell_volume [733.0998]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Au  Au1  4  0.1658  0.0000  0.2073  1.0
  Br  Br2  4  0.0008  0.0000  0.1771  1.0
  Br  Br3  4  0.1775  0.5000  0.7832  1.0
  Br  Br4  4  0.1889  0.5000  0.2716  1.0
]