data_[Tl2Si2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9373]
_cell_length_b [4.5009]
_cell_length_c [8.2524]
_cell_angle_alpha [91.5229]
_cell_angle_beta [90.4098]
_cell_angle_gamma [104.1654]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSiAu]
_chemical_formula_sum '[Tl2 Si2 Au2]'
_cell_volume [141.7341]
_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  2  0.2144  0.2827  0.6194  1
  Si  Si1  2  0.2686  0.6006  0.0676  1
  Au  Au2  2  0.3871  0.1244  0.1832  1
]