data_[K2Na8Br10]
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 [C2/m]
_cell_length_a [14.4781]
_cell_length_b [4.3435]
_cell_length_c [10.7374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNa4Br5]
_chemical_formula_sum '[K2 Na8 Br10]'
_cell_volume [587.8474]
_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  2  0.0000  0.0000  0.0000  1
  Na  Na1  4  0.0979  0.5000  0.4021  1
  Na  Na2  4  0.2000  0.0000  0.7919  1
  Br  Br3  4  0.1084  0.5000  0.8880  1
  Br  Br4  4  0.2055  0.0000  0.3128  1
  Br  Br5  2  0.0000  0.0000  0.5000  1
]