data_[Cs2K6Rb4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3536]
_cell_length_b [4.8868]
_cell_length_c [9.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK3Rb2Br6]
_chemical_formula_sum '[Cs2 K6 Rb4 Br12]'
_cell_volume [995.4820]
_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  0.5000  0.0000  1.0
  K  K1  4  0.1667  0.0000  0.8302  1.0
  Rb  Rb2  4  0.1675  0.0000  0.3344  1.0
  K  K3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  4  0.0026  0.0000  0.7327  1.0
  Br  Br5  4  0.1644  0.5000  0.5881  1.0
  Br  Br6  4  0.1727  0.5000  0.0784  1.0
]