data_[Tl4Hg4Ge4Au8]
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
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6582]
_cell_length_b [4.5819]
_cell_length_c [10.3336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlHgGeAu2]
_chemical_formula_sum '[Tl4 Hg4 Ge4 Au8]'
_cell_volume [506.2850]
_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  0.0027  0.5000  0.3453  1.0
  Hg  Hg1  4  0.2284  0.0000  0.6263  1.0
  Ge  Ge2  4  0.1364  0.0000  0.0479  1.0
  Au  Au3  4  0.0937  0.0000  0.2590  1.0
  Au  Au4  4  0.2238  0.5000  0.0536  1.0
]