data_[K2Ba2Li2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3656]
_cell_length_b [7.4581]
_cell_length_c [9.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBaLiBr4]
_chemical_formula_sum '[K2 Ba2 Li2 Br8]'
_cell_volume [478.3250]
_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  0.2064  0.2500  0.5481  1.0
  Ba  Ba1  2  0.2611  0.2500  0.0684  1.0
  Li  Li2  2  0.2478  0.7500  0.3079  1.0
  Br  Br3  4  0.0050  0.5005  0.2278  1.0
  Br  Br4  2  0.4237  0.7500  0.5901  1.0
  Br  Br5  2  0.4343  0.7500  0.1208  1.0
]