data_[Tl10Au2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.1364]
_cell_length_b [9.1364]
_cell_length_c [5.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tl5AuF4]
_chemical_formula_sum '[Tl10 Au2 F8]'
_cell_volume [492.3001]
_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  0.1072  0.6872  0.9679  1
  Tl  Tl1  2  0.0000  0.0000  0.5017  1
  Au  Au2  2  0.0000  0.0000  1.0000  1
  F  F3  8  0.1298  0.7244  0.5342  1
]