data_[Cs12Ag2Au4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  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 [9.1051]
_cell_length_b [15.7740]
_cell_length_c [9.1836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6AgAu2Br3]
_chemical_formula_sum '[Cs12 Ag2 Au4 Br6]'
_cell_volume [1244.6557]
_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  8  0.2452  0.3303  0.7444  1.0
  Cs  Cs1  4  0.2464  0.5000  0.2568  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.3334  0.0000  1.0
  Br  Br4  4  0.0000  0.1653  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]