data_[Tl8Sb4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6925]
_cell_length_b [4.4781]
_cell_length_c [11.1829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SbAu2]
_chemical_formula_sum '[Tl8 Sb4 Au8]'
_cell_volume [529.6384]
_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  0.1033  0.5000  0.9071  1.0
  Tl  Tl1  4  0.1525  0.0000  0.6905  1.0
  Sb  Sb2  4  0.1494  0.0000  0.3569  1.0
  Au  Au3  4  0.0793  0.5000  0.4452  1.0
  Au  Au4  4  0.1353  0.0000  0.0998  1.0
]