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 [C2/c]
_cell_length_a [14.1708]
_cell_length_b [6.6844]
_cell_length_c [8.6846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2LiBr3]
_chemical_formula_sum '[K8 Li4 Br12]'
_cell_volume [782.8469]
_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  8  0.1730  0.4997  0.5866  1
  Li  Li1  4  0.0000  0.0637  0.2500  1
  Br  Br2  8  0.1412  0.0004  0.0701  1
  Br  Br3  4  0.0000  0.4461  0.2500  1
]