data_[K4Sn4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [20.2621]
_cell_length_b [5.6020]
_cell_length_c [9.7144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSnBr4]
_chemical_formula_sum '[K4 Sn4 Br16]'
_cell_volume [1078.1643]
_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  0.2060  0.0000  0.2683  1.0
  Sn  Sn1  4  0.0892  0.0000  0.6703  1.0
  Br  Br2  4  0.0520  0.0000  0.3559  1.0
  Br  Br3  4  0.0932  0.5000  0.6509  1.0
  Br  Br4  4  0.1141  0.0000  0.9488  1.0
  Br  Br5  4  0.2232  0.0000  0.6334  1.0
]