data_[Tl10Au2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3134]
_cell_length_b [9.3134]
_cell_length_c [10.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tl5AuCl8]
_chemical_formula_sum '[Tl10 Au2 Cl16]'
_cell_volume [932.8055]
_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  8  0.0995  0.2681  0.8888  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  Au  Au2  2  0.0000  0.5000  0.2500  1
  Cl  Cl3  8  0.0540  0.2562  0.2439  1
  Cl  Cl4  8  0.0697  0.3047  0.6101  1
]