data_[Cs2Se2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [5.9035]
_cell_length_b [9.0609]
_cell_length_c [8.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSeBr3]
_chemical_formula_sum '[Cs2 Se2 Br6]'
_cell_volume [422.5982]
_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
[
  Cs  Cs0  2  0.2326  0.7500  0.6613  1.0
  Se  Se1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.2609  0.0024  0.3025  1.0
  Br  Br3  2  0.1888  0.2500  0.9283  1.0
]