data_[Tl2Sn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1641]
_cell_length_b [4.7823]
_cell_length_c [10.7773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl(SnAu)2]
_chemical_formula_sum '[Tl2 Sn4 Au4]'
_cell_volume [263.5027]
_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  0.2599  0.7500  0.7452  1.0
  Sn  Sn1  2  0.1694  0.7500  0.1047  1.0
  Sn  Sn2  2  0.2673  0.2500  0.5092  1.0
  Au  Au3  2  0.1985  0.7500  0.3640  1.0
  Au  Au4  2  0.3486  0.2500  0.0091  1.0
]