data_[Ag4Ir4Br20]
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 [13.5923]
_cell_length_b [7.0250]
_cell_length_c [9.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgIrBr5]
_chemical_formula_sum '[Ag4 Ir4 Br20]'
_cell_volume [864.3964]
_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  0.4640  0.7500  1.0
  Ir  Ir1  4  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1077  0.2866  0.9849  1.0
  Br  Br3  8  0.1555  0.1822  0.6084  1.0
  Br  Br4  4  0.0000  0.1442  0.2500  1.0
]