data_[Ag1Ir1Br4]
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 [Pm]
_cell_length_a [10.3924]
_cell_length_b [3.2726]
_cell_length_c [19.3522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AgIrBr4]
_chemical_formula_sum '[Ag1 Ir1 Br4]'
_cell_volume [658.1631]
_cell_formula_units_Z [1]
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  1  0.0434  0.0000  0.4380  1
  Ir  Ir1  1  0.1027  0.5000  0.5456  1
  Br  Br2  1  0.0057  0.5000  0.3365  1
  Br  Br3  1  0.2724  0.0000  0.5614  1
  Br  Br4  1  0.5462  0.5000  0.5575  1
  Br  Br5  1  0.8770  0.5000  0.5610  1
]