data_[Tl2Sb4Te8Au2]
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
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [6.9677]
_cell_length_b [8.2958]
_cell_length_c [8.5737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [TlSb2Te4Au]
_chemical_formula_sum '[Tl2 Sb4 Te8 Au2]'
_cell_volume [495.5785]
_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  0.0000  0.0000  0.0000  1
  Sb  Sb1  4  0.2152  0.5000  0.0000  1
  Te  Te2  8  0.1439  0.2774  0.2887  1
  Au  Au3  2  0.0000  0.5000  0.5000  1
]