data_[K1Sn1Br3]
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 [Pm]
_cell_length_a [6.0694]
_cell_length_b [5.8879]
_cell_length_c [6.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KSnBr3]
_chemical_formula_sum '[K1 Sn1 Br3]'
_cell_volume [216.3012]
_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  0.0858  0.5000  0.8528  1.0
  Sn  Sn1  1  0.4957  0.0000  0.5202  1.0
  Br  Br2  1  0.3897  0.0000  0.0706  1.0
  Br  Br3  1  0.5191  0.5000  0.5881  1.0
  Br  Br4  1  0.9597  0.0000  0.5382  1.0
]