data_[K4Li4La4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [9.4568]
_cell_length_b [12.9842]
_cell_length_c [10.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiLaBr5]
_chemical_formula_sum '[K4 Li4 La4 Br20]'
_cell_volume [1228.7294]
_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  0.3560  0.2500  1.0
  Li  Li1  4  0.0000  0.3101  0.7500  1.0
  La  La2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1227  0.2003  0.6246  1.0
  Br  Br4  8  0.1796  0.4344  0.9297  1.0
  Br  Br5  4  0.0000  0.0933  0.2500  1.0
]