data_[Cs2K6Na4Br12]
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
  Na  0.9300  1.8000  1.1600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4487]
_cell_length_b [4.6984]
_cell_length_c [9.4799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK3Na2Br6]
_chemical_formula_sum '[Cs2 K6 Na4 Br12]'
_cell_volume [885.7851]
_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  0.1642  0.0000  0.8282  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Na  Na3  4  0.1736  0.0000  0.3481  1.0
  Br  Br4  4  0.0104  0.0000  0.2767  1.0
  Br  Br5  4  0.1729  0.5000  0.5714  1.0
  Br  Br6  4  0.1747  0.5000  0.1060  1.0
]