data_[K8Li4Zn4Br20]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1400]
_cell_length_b [20.1128]
_cell_length_c [13.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiZnBr5]
_chemical_formula_sum '[K8 Li4 Zn4 Br20]'
_cell_volume [1135.5286]
_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  0.1312  0.6859  1.0
  K  K1  4  0.0000  0.1323  0.3181  1.0
  Li  Li2  4  0.0000  0.2221  0.0443  1.0
  Zn  Zn3  4  0.0000  0.4355  0.4281  1.0
  Br  Br4  4  0.0000  0.0390  0.0253  1.0
  Br  Br5  4  0.0000  0.2963  0.6595  1.0
  Br  Br6  4  0.0000  0.3193  0.3825  1.0
  Br  Br7  4  0.0000  0.3445  0.0035  1.0
  Br  Br8  4  0.0000  0.4974  0.2767  1.0
]