data_[Tl4Ge4Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8670]
_cell_length_b [7.6028]
_cell_length_c [9.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlGeAu2]
_chemical_formula_sum '[Tl4 Ge4 Au8]'
_cell_volume [360.2900]
_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  0.4021  0.5084  0.1348  1
  Ge  Ge1  4  0.2029  0.1363  0.8742  1
  Au  Au2  4  0.0504  0.1867  0.0608  1
  Au  Au3  4  0.2770  0.7005  0.3517  1
]