data_[K8Ba4Li4Br20]
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 [Cmc2_1]
_cell_length_a [4.6669]
_cell_length_b [19.7597]
_cell_length_c [14.2495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2BaLiBr5]
_chemical_formula_sum '[K8 Ba4 Li4 Br20]'
_cell_volume [1314.0333]
_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  0.0942  0.6732  1.0
  K  K1  4  0.0000  0.1154  0.3453  1.0
  Ba  Ba2  4  0.0000  0.1947  0.0367  1.0
  Li  Li3  4  0.0000  0.4532  0.4194  1.0
  Br  Br4  4  0.0000  0.0313  0.0000  1.0
  Br  Br5  4  0.0000  0.2930  0.6922  1.0
  Br  Br6  4  0.0000  0.3236  0.3808  1.0
  Br  Br7  4  0.0000  0.3546  0.0130  1.0
  Br  Br8  4  0.0000  0.4920  0.7633  1.0
]