data_[Cs8K4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmc2_1]
_cell_length_a [5.0750]
_cell_length_b [19.2750]
_cell_length_c [15.2026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2KAgBr5]
_chemical_formula_sum '[Cs8 K4 Ag4 Br20]'
_cell_volume [1487.1171]
_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
[
  Cs  Cs0  4  0.0000  0.0934  0.6970  1.0
  Cs  Cs1  4  0.0000  0.1540  0.3213  1.0
  K  K2  4  0.0000  0.1962  0.0344  1.0
  Ag  Ag3  4  0.0000  0.4863  0.4398  1.0
  Br  Br4  4  0.0000  0.0278  0.0057  1.0
  Br  Br5  4  0.0000  0.2748  0.6667  1.0
  Br  Br6  4  0.0000  0.3544  0.3931  1.0
  Br  Br7  4  0.0000  0.3851  0.0002  1.0
  Br  Br8  4  0.0000  0.4719  0.7658  1.0
]