data_[K2Sn10Br24]
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 [7.7023]
_cell_length_b [13.3602]
_cell_length_c [13.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSn5Br12]
_chemical_formula_sum '[K2 Sn10 Br24]'
_cell_volume [1387.6066]
_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  2  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.0000  0.1667  0.5000  1
  Sn  Sn2  4  0.0000  0.3332  0.0000  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Br  Br4  8  0.1296  0.3332  0.3799  1
  Br  Br5  8  0.2222  0.1857  0.1196  1
  Br  Br6  4  0.1299  0.0000  0.3788  1
  Br  Br7  4  0.1640  0.5000  0.1193  1
]