data_[Ag6Ir2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [7.5850]
_cell_length_b [11.6657]
_cell_length_c [8.1596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Ag3IrBr8]
_chemical_formula_sum '[Ag6 Ir2 Br16]'
_cell_volume [722.0043]
_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  4  0.2500  0.2500  0.2449  1
  Ag  Ag1  2  0.0000  0.5000  0.0000  1
  Ir  Ir2  2  0.0000  0.5000  0.5000  1
  Br  Br3  8  0.2340  0.4971  0.2849  1
  Br  Br4  4  0.0000  0.2763  0.0000  1
  Br  Br5  4  0.0000  0.2860  0.5000  1
]