data_[Tl4Ir2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1792]
_cell_length_b [4.7071]
_cell_length_c [13.9599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl2IrPb]
_chemical_formula_sum '[Tl4 Ir2 Pb2]'
_cell_volume [208.9069]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.9975  1
  Tl  Tl1  2  0.0000  0.5000  0.8189  1
  Ir  Ir2  2  0.0000  0.0000  0.5045  1
  Pb  Pb3  2  0.0000  0.5000  0.1791  1
]