data_[K1Fe1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5962]
_cell_length_b [7.8481]
_cell_length_c [8.9352]
_cell_angle_alpha [79.1396]
_cell_angle_beta [73.1326]
_cell_angle_gamma [86.6485]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KFe(SnBr4)2]
_chemical_formula_sum '[K1 Fe1 Sn2 Br8]'
_cell_volume [434.7235]
_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  0.0000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4555  0.3783  0.7612  1.0
  Br  Br3  2  0.1738  0.1877  0.1171  1.0
  Br  Br4  2  0.2001  0.7239  0.1000  1.0
  Br  Br5  2  0.2409  0.6158  0.5269  1.0
  Br  Br6  2  0.3213  0.0629  0.7286  1.0
]