data_[K3Na6La3Br18]
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 [R3]
_cell_length_a [7.7115]
_cell_length_b [7.7115]
_cell_length_c [20.9772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KNa2LaBr6]
_chemical_formula_sum '[K3 Na6 La3 Br18]'
_cell_volume [1080.3351]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1916  1
  Na  Na1  3  0.0000  0.0000  0.4818  1
  Na  Na2  3  0.0000  0.0000  0.9924  1
  La  La3  3  0.0000  0.0000  0.6780  1
  Br  Br4  9  0.0139  0.3425  0.7463  1
  Br  Br5  9  0.0230  0.6223  0.2517  1
]