data_[Tl6Pb14Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2223]
_cell_length_b [4.8983]
_cell_length_c [10.8793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Pb7Au4]
_chemical_formula_sum '[Tl6 Pb14 Au8]'
_cell_volume [804.7162]
_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  4  0.1821  0.5000  0.1847  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.0009  0.5000  0.7804  1
  Pb  Pb3  4  0.1642  0.0000  0.9297  1
  Pb  Pb4  4  0.1932  0.5000  0.5460  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1182  0.0000  0.3559  1
  Au  Au7  4  0.1591  0.5000  0.7708  1
]