data_[K4Na4La4Br20]
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
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2691]
_cell_length_b [13.8899]
_cell_length_c [10.8374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNaLaBr5]
_chemical_formula_sum '[K4 Na4 La4 Br20]'
_cell_volume [1308.9054]
_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
[
  K  K0  4  0.0000  0.3667  0.2500  1.0
  Na  Na1  4  0.0000  0.3139  0.7500  1.0
  La  La2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1316  0.1843  0.6188  1.0
  Br  Br4  8  0.1796  0.4412  0.9509  1.0
  Br  Br5  4  0.0000  0.0939  0.2500  1.0
]