data_[Cs8Na4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5929]
_cell_length_b [7.3364]
_cell_length_c [9.5799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2NaBr3]
_chemical_formula_sum '[Cs8 Na4 Br12]'
_cell_volume [1042.9763]
_cell_formula_units_Z [4]
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  0.1726  0.4988  0.5863  1.0
  Na  Na1  4  0.0000  0.0491  0.2500  1.0
  Br  Br2  8  0.1375  0.0013  0.0685  1.0
  Br  Br3  4  0.0000  0.4446  0.2500  1.0
]