data_[Tl4Si4Au4]
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 [Cm]
_cell_length_a [9.6164]
_cell_length_b [3.8152]
_cell_length_c [8.3497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSiAu]
_chemical_formula_sum '[Tl4 Si4 Au4]'
_cell_volume [290.0998]
_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  2  0.1346  0.0000  0.7691  1.0
  Tl  Tl1  2  0.4272  0.5000  0.0200  1.0
  Si  Si2  2  0.0001  0.5000  0.3983  1.0
  Si  Si3  2  0.1406  0.0000  0.3973  1.0
  Au  Au4  2  0.2577  0.0000  0.1755  1.0
  Au  Au5  2  0.3808  0.0000  0.6206  1.0
]