data_[K4Sr4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9133]
_cell_length_b [11.9880]
_cell_length_c [10.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrSnBr5]
_chemical_formula_sum '[K4 Sr4 Sn4 Br20]'
_cell_volume [1313.8849]
_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  0.4238  0.7500  1.0
  Sr  Sr1  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn2  4  0.0000  0.0071  0.7500  1.0
  Br  Br3  8  0.0213  0.1720  0.5826  1.0
  Br  Br4  8  0.2068  0.4850  0.5851  1.0
  Br  Br5  4  0.0000  0.2939  0.2500  1.0
]