data_[Ti1Au1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1776]
_cell_length_b [5.4124]
_cell_length_c [5.6289]
_cell_angle_alpha [64.6063]
_cell_angle_beta [89.0162]
_cell_angle_gamma [62.6752]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiAuF6]
_chemical_formula_sum '[Ti1 Au1 F6]'
_cell_volume [123.3866]
_cell_formula_units_Z [1]
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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.0343  0.6112  0.1975  1.0
  F  F3  2  0.2544  0.8454  0.7819  1.0
  F  F4  2  0.3484  0.8649  0.2488  1.0
]