data_[Tl4Hg2Ge2Au12]
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 [Pmmn]
_cell_length_a [6.9224]
_cell_length_b [8.8098]
_cell_length_c [7.9849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2HgGeAu6]
_chemical_formula_sum '[Tl4 Hg2 Ge2 Au12]'
_cell_volume [486.9619]
_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  0.0000  0.1982  0.3302  1.0
  Hg  Hg1  2  0.0000  0.5000  0.7278  1.0
  Ge  Ge2  2  0.0000  0.0000  0.7548  1.0
  Au  Au3  4  0.0000  0.2333  0.9531  1.0
  Au  Au4  4  0.2041  0.5000  0.0441  1.0
  Au  Au5  4  0.2047  0.5000  0.4293  1.0
]