data_[K1Sn1H2Br8]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5744]
_cell_length_b [8.3333]
_cell_length_c [8.5492]
_cell_angle_alpha [69.0542]
_cell_angle_beta [80.2944]
_cell_angle_gamma [78.1759]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSn(HBr4)2]
_chemical_formula_sum '[K1 Sn1 H2 Br8]'
_cell_volume [425.8143]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4328  0.7152  0.7479  1.0
  Br  Br3  2  0.0118  0.0600  0.6797  1.0
  Br  Br4  2  0.1836  0.2768  0.9375  1.0
  Br  Br5  2  0.3394  0.7496  0.0200  1.0
  Br  Br6  2  0.4776  0.6896  0.5845  1.0
]