data_[Ag2Ir2Br12]
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/m]
_cell_length_a [8.5049]
_cell_length_b [9.2614]
_cell_length_c [6.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgIrBr6]
_chemical_formula_sum '[Ag2 Ir2 Br12]'
_cell_volume [540.4302]
_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  0.0000  0.0000  0.5000  1
  Ir  Ir1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0920  0.1856  0.2592  1
  Br  Br3  4  0.2323  0.5000  0.0908  1
]