data_[Tl12Au4F24]
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 [Cmc2_1]
_cell_length_a [10.0356]
_cell_length_b [13.9060]
_cell_length_c [5.6765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3AuF6]
_chemical_formula_sum '[Tl12 Au4 F24]'
_cell_volume [792.1940]
_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  8  0.1930  0.1227  0.9484  1.0
  Tl  Tl1  4  0.0000  0.4099  0.9227  1.0
  Au  Au2  4  0.0000  0.1759  0.3898  1.0
  F  F3  8  0.1339  0.4955  0.1675  1.0
  F  F4  8  0.1558  0.3110  0.8168  1.0
  F  F5  4  0.0000  0.0433  0.5305  1.0
  F  F6  4  0.0000  0.3154  0.2771  1.0
]