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 [Pm]
_cell_length_a [4.5338]
_cell_length_b [4.1357]
_cell_length_c [7.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlSiAu]
_chemical_formula_sum '[Tl2 Si2 Au2]'
_cell_volume [139.0874]
_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  1  0.1096  0.0000  0.6751  1
  Tl  Tl1  1  0.6145  0.5000  0.4369  1
  Si  Si2  1  0.0330  0.5000  0.0913  1
  Si  Si3  1  0.4379  0.5000  0.9010  1
  Au  Au4  1  0.2021  0.0000  0.2703  1
  Au  Au5  1  0.7058  0.0000  0.9976  1
]