data_[Tl3Ge1Sb2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6298]
_cell_length_b [6.6298]
_cell_length_c [9.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3Ge(SbAu3)2]
_chemical_formula_sum '[Tl3 Ge1 Sb2 Au6]'
_cell_volume [347.5965]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.4218  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  1  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  2  0.3333  0.6667  0.8862  1.0
  Au  Au4  6  0.1513  0.3026  0.7091  1.0
]