data_[K8Sn4H4Br20]
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 [Cmc2_1]
_cell_length_a [4.5229]
_cell_length_b [19.5805]
_cell_length_c [13.5233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SnHBr5]
_chemical_formula_sum '[K8 Sn4 H4 Br20]'
_cell_volume [1197.6234]
_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  0.1255  0.6855  1.0
  K  K1  4  0.0000  0.1441  0.3488  1.0
  Sn  Sn2  4  0.0000  0.1756  0.0209  1.0
  H  H3  4  0.0000  0.4828  0.3915  1.0
  Br  Br4  4  0.0000  0.0327  0.0297  1.0
  Br  Br5  4  0.0000  0.3089  0.6717  1.0
  Br  Br6  4  0.0000  0.3177  0.3652  1.0
  Br  Br7  4  0.0000  0.3386  0.0200  1.0
  Br  Br8  4  0.0000  0.4914  0.7907  1.0
]