data_[K2Se2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1466]
_cell_length_b [8.7922]
_cell_length_c [8.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSeBr3]
_chemical_formula_sum '[K2 Se2 Br6]'
_cell_volume [364.7904]
_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  0.2431  0.7500  0.6352  1.0
  Se  Se1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.2386  0.0052  0.3139  1.0
  Br  Br3  2  0.2519  0.2500  0.9483  1.0
]