data_[K6Li2Br8]
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 [Pmn2_1]
_cell_length_a [10.9073]
_cell_length_b [8.9626]
_cell_length_c [6.6680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3LiBr4]
_chemical_formula_sum '[K6 Li2 Br8]'
_cell_volume [651.8534]
_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  4  0.2366  0.6702  0.0658  1.0
  K  K1  2  0.0000  0.8563  0.5642  1.0
  Li  Li2  2  0.0000  0.1802  0.9946  1.0
  Br  Br3  4  0.2197  0.3054  0.0716  1.0
  Br  Br4  2  0.0000  0.2028  0.6139  1.0
  Br  Br5  2  0.0000  0.8902  0.0678  1.0
]