data_[Ag6Ir2Br12]
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 [P2_1/c]
_cell_length_a [7.0286]
_cell_length_b [7.0124]
_cell_length_c [12.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3IrBr6]
_chemical_formula_sum '[Ag6 Ir2 Br12]'
_cell_volume [521.0969]
_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  0.2596  0.0523  0.7656  1.0
  Ag  Ag1  2  0.5000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0765  0.1991  0.4186  1.0
  Br  Br4  4  0.2477  0.6716  0.4437  1.0
  Br  Br5  4  0.3381  0.0797  0.2181  1.0
]