data_[Cs6K4Na2Br12]
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 [21.3680]
_cell_length_b [4.8959]
_cell_length_c [9.8339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3K2NaBr6]
_chemical_formula_sum '[Cs6 K4 Na2 Br12]'
_cell_volume [998.3716]
_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  4  0.1693  0.0000  0.8352  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  K  K2  4  0.1643  0.0000  0.3303  1
  Na  Na3  2  0.0000  0.5000  0.0000  1
  Br  Br4  4  0.0031  0.0000  0.2193  1
  Br  Br5  4  0.1517  0.5000  0.0912  1
  Br  Br6  4  0.1727  0.5000  0.5693  1
]