data_[Tl4Ga4Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1376]
_cell_length_b [15.0137]
_cell_length_c [5.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGaPbAu3]
_chemical_formula_sum '[Tl4 Ga4 Pb4 Au12]'
_cell_volume [565.1435]
_cell_formula_units_Z [4]
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  4  0.0000  0.2319  0.7500  1.0
  Ga  Ga1  4  0.0000  0.0130  0.2500  1.0
  Pb  Pb2  4  0.0000  0.3935  0.2500  1.0
  Au  Au3  8  0.2190  0.4203  0.8833  1.0
  Au  Au4  4  0.0000  0.1923  0.2500  1.0
]