data_[K8Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0632]
_cell_length_b [10.8214]
_cell_length_c [8.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KAgBr3]
_chemical_formula_sum '[K8 Ag8 Br24]'
_cell_volume [1369.4210]
_cell_formula_units_Z [8]
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  0.1590  0.2500  1.0
  K  K1  4  0.0000  0.3186  0.7500  1.0
  Ag  Ag2  8  0.2045  0.4706  0.2196  1.0
  Br  Br3  8  0.1093  0.4273  0.4473  1.0
  Br  Br4  8  0.1158  0.0618  0.6248  1.0
  Br  Br5  8  0.2041  0.1695  0.0451  1.0
]