data_[K8Li4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3932]
_cell_length_b [4.5103]
_cell_length_c [18.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K2LiBr3]
_chemical_formula_sum '[K8 Li4 Br12]'
_cell_volume [770.3781]
_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  0.0806  0.7500  0.2861  1
  K  K1  4  0.2409  0.7500  0.5454  1
  Li  Li2  4  0.1270  0.7500  0.8675  1
  Br  Br3  4  0.0003  0.2500  0.8994  1
  Br  Br4  4  0.1304  0.2500  0.4272  1
  Br  Br5  4  0.1799  0.7500  0.7301  1
]