data_[Cs2Ag4I2Br12]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.0771]
_cell_length_b [10.0510]
_cell_length_c [7.7087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsAg2IBr6]
_chemical_formula_sum '[Cs2 Ag4 I2 Br12]'
_cell_volume [808.7916]
_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  0.8375  0.5000  1.0
  Ag  Ag1  4  0.2478  0.2419  0.7381  1.0
  I  I2  2  0.0000  0.3668  0.0000  1.0
  Br  Br3  4  0.2164  0.3976  0.9784  1.0
  Br  Br4  4  0.2277  0.5918  0.5014  1.0
  Br  Br5  2  0.0000  0.2084  0.5000  1.0
  Br  Br6  2  0.0000  0.7865  0.0000  1.0
]