data_[Tl16Hg4Pb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  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 [18.5875]
_cell_length_b [6.4473]
_cell_length_c [7.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4HgPbAu]
_chemical_formula_sum '[Tl16 Hg4 Pb4 Au4]'
_cell_volume [836.3554]
_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  8  0.1679  0.2477  0.5693  1
  Tl  Tl1  4  0.1117  0.5000  0.1401  1
  Tl  Tl2  4  0.2332  0.0000  0.0079  1
  Hg  Hg3  4  0.0361  0.5000  0.7081  1
  Pb  Pb4  4  0.0344  0.0000  0.7668  1
  Au  Au5  4  0.1146  0.0000  0.1893  1
]