data_[Tl2Sn2Au2]
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 [5.2418]
_cell_length_b [4.7941]
_cell_length_c [6.9291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSnAu]
_chemical_formula_sum '[Tl2 Sn2 Au2]'
_cell_volume [170.7233]
_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  0.2368  0.2500  0.8909  1.0
  Sn  Sn1  2  0.2795  0.7500  0.5288  1.0
  Au  Au2  2  0.1741  0.2500  0.3062  1.0
]