data_[K8Li4Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5666]
_cell_length_b [18.8880]
_cell_length_c [14.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiSnBr5]
_chemical_formula_sum '[K8 Li4 Sn4 Br20]'
_cell_volume [1249.5609]
_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  0.0992  0.6729  1.0
  K  K1  4  0.0000  0.1554  0.3174  1.0
  Li  Li2  4  0.0000  0.2346  0.0723  1.0
  Sn  Sn3  4  0.0000  0.4590  0.4414  1.0
  Br  Br4  4  0.0000  0.0882  0.0517  1.0
  Br  Br5  4  0.0000  0.2716  0.6612  1.0
  Br  Br6  4  0.0000  0.3349  0.3476  1.0
  Br  Br7  4  0.0000  0.3594  0.9998  1.0
  Br  Br8  4  0.0000  0.4774  0.7597  1.0
]