data_[Tl1Ag2Ir1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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/m]
_cell_length_a [6.4333]
_cell_length_b [8.1269]
_cell_length_c [7.2378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlAg2IrBr8]
_chemical_formula_sum '[Tl1 Ag2 Ir1 Br8]'
_cell_volume [377.9609]
_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
[
  Tl  Tl0  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.2501  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2311  0.2165  0.1439  1.0
  Br  Br4  2  0.2115  0.0000  0.7160  1.0
  Br  Br5  2  0.2401  0.5000  0.6830  1.0
]