data_[Cs2Ag2I2Br12]
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 [Imm2]
_cell_length_a [5.2499]
_cell_length_b [13.5339]
_cell_length_c [11.8406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsAgIBr6]
_chemical_formula_sum '[Cs2 Ag2 I2 Br12]'
_cell_volume [841.2955]
_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  0.5000  0.0179  1.0
  Ag  Ag1  2  0.0000  0.0000  0.8275  1.0
  I  I2  2  0.0000  0.0000  0.1684  1.0
  Br  Br3  4  0.0000  0.1356  0.6777  1.0
  Br  Br4  4  0.0000  0.1361  0.9906  1.0
  Br  Br5  4  0.0000  0.1408  0.3246  1.0
]