data_[Ir4Pb2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6702]
_cell_length_b [3.1326]
_cell_length_c [7.6768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir2PbBr]
_chemical_formula_sum '[Ir4 Pb2 Br2]'
_cell_volume [196.4175]
_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
[
  Ir  Ir0  4  0.1561  0.0000  0.3445  1
  Pb  Pb1  2  0.0000  0.5000  0.5000  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
]