data_[K4Sn6Br16]
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 [16.2651]
_cell_length_b [8.8826]
_cell_length_c [7.6367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn3Br8]
_chemical_formula_sum '[K4 Sn6 Br16]'
_cell_volume [1045.7195]
_cell_formula_units_Z [2]
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  0.2336  0.5000  0.6616  1.0
  Sn  Sn1  4  0.0000  0.2585  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1123  0.2324  0.3976  1.0
  Br  Br4  4  0.1117  0.5000  0.9430  1.0
  Br  Br5  4  0.1120  0.0000  0.9054  1.0
]