data_[Ag4I2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [7.0024]
_cell_length_b [7.0638]
_cell_length_c [7.1052]
_cell_angle_alpha [74.4805]
_cell_angle_beta [66.1220]
_cell_angle_gamma [75.6604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2IBr2]
_chemical_formula_sum '[Ag4 I2 Br4]'
_cell_volume [305.7541]
_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
[
  Ag  Ag0  2  0.1792  1.0000  0.1712  1.0
  Ag  Ag1  2  0.1879  0.4958  0.6486  1.0
  I  I2  2  0.1674  0.7532  0.9150  1.0
  Br  Br3  2  0.1407  0.2517  0.4257  1.0
  Br  Br4  2  0.4993  0.7360  0.2399  1.0
]