data_[Tl8In4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0171]
_cell_length_b [4.4356]
_cell_length_c [11.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2InAu2]
_chemical_formula_sum '[Tl8 In4 Au8]'
_cell_volume [515.1386]
_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  4  0.0331  0.0000  0.6962  1.0
  Tl  Tl1  4  0.1859  0.0000  0.0936  1.0
  In  In2  4  0.1979  0.5000  0.3586  1.0
  Au  Au3  4  0.0377  0.5000  0.8958  1.0
  Au  Au4  4  0.1380  0.5000  0.5793  1.0
]