data_[Cs2Ag2Se2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2430]
_cell_length_b [12.7143]
_cell_length_c [8.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsAgSeBr6]
_chemical_formula_sum '[Cs2 Ag2 Se2 Br12]'
_cell_volume [737.3719]
_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  0.0000  0.0037  0.0000  1.0
  Ag  Ag1  2  0.0000  0.6672  0.5000  1.0
  Se  Se2  2  0.0000  0.3339  0.5000  1.0
  Br  Br3  4  0.1338  0.4840  0.3158  1.0
  Br  Br4  4  0.1686  0.1936  0.3140  1.0
  Br  Br5  4  0.2096  0.8203  0.3033  1.0
]