data_[K8Na2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I4/mmm]
_cell_length_a [4.6680]
_cell_length_b [4.6680]
_cell_length_c [32.7338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K4NaBr5]
_chemical_formula_sum '[K8 Na2 Br10]'
_cell_volume [713.2895]
_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
[
  K  K0  4  0.0000  0.0000  0.1981  1.0
  K  K1  4  0.0000  0.0000  0.4027  1.0
  Na  Na2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0000  0.0000  0.0937  1.0
  Br  Br4  4  0.0000  0.0000  0.3007  1.0
  Br  Br5  2  0.0000  0.0000  0.5000  1.0
]