data_[Tl1As1Ir1Pb1Au1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1850]
_cell_length_b [4.1850]
_cell_length_c [9.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TlAsIrPbAuCl]
_chemical_formula_sum '[Tl1 As1 Ir1 Pb1 Au1 Cl1]'
_cell_volume [149.8731]
_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  0.3333  0.6667  0.0536  1
  As  As1  1  0.3333  0.6667  0.7015  1
  Ir  Ir2  1  0.0000  0.0000  0.7294  1
  Pb  Pb3  1  0.6667  0.3333  0.4972  1
  Au  Au4  1  0.6667  0.3333  0.8855  1
  Cl  Cl5  1  0.0000  0.0000  0.2945  1
]