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 [P1]
_cell_length_a [7.3948]
_cell_length_b [8.1398]
_cell_length_c [8.5443]
_cell_angle_alpha [117.9719]
_cell_angle_beta [92.7023]
_cell_angle_gamma [108.8235]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsSeBr3]
_chemical_formula_sum '[Cs2 Se2 Br6]'
_cell_volume [417.6322]
_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  1  0.1650  0.4759  0.3805  1.0
  Cs  Cs1  1  0.5296  0.9427  0.1509  1.0
  Se  Se2  1  0.3834  0.2141  0.8132  1.0
  Se  Se3  1  0.6946  0.5187  0.8892  1.0
  Br  Br4  1  0.0108  0.9046  0.0824  1.0
  Br  Br5  1  0.1640  0.4248  0.9165  1.0
  Br  Br6  1  0.2111  0.0565  0.4943  1.0
  Br  Br7  1  0.5563  0.9571  0.7222  1.0
  Br  Br8  1  0.6293  0.4665  0.1843  1.0
  Br  Br9  1  0.6882  0.4866  0.5867  1.0
]