data_[Ag4Ir4Br16]
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 [C2/c]
_cell_length_a [8.2142]
_cell_length_b [16.3880]
_cell_length_c [6.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgIrBr4]
_chemical_formula_sum '[Ag4 Ir4 Br16]'
_cell_volume [740.7879]
_cell_formula_units_Z [4]
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  0.0000  0.3857  0.7500  1.0
  Ir  Ir1  4  0.0000  0.0556  0.2500  1.0
  Br  Br2  8  0.2041  0.0494  0.7087  1.0
  Br  Br3  8  0.2056  0.8326  0.7468  1.0
]