data_[Cs4K8Sn4Br20]
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
  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 [5.0246]
_cell_length_b [21.8123]
_cell_length_c [13.5806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsK2SnBr5]
_chemical_formula_sum '[Cs4 K8 Sn4 Br20]'
_cell_volume [1488.4026]
_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  0.2218  0.0019  1.0
  K  K1  4  0.0000  0.1134  0.6864  1.0
  K  K2  4  0.0000  0.1292  0.2868  1.0
  Sn  Sn3  4  0.0000  0.4762  0.4556  1.0
  Br  Br4  4  0.0000  0.0564  0.0565  1.0
  Br  Br5  4  0.0000  0.2760  0.7071  1.0
  Br  Br6  4  0.0000  0.3578  0.3567  1.0
  Br  Br7  4  0.0000  0.3848  0.0114  1.0
  Br  Br8  4  0.0000  0.4789  0.7615  1.0
]