data_[Ge1Au1Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1594]
_cell_length_b [5.4818]
_cell_length_c [6.4268]
_cell_angle_alpha [103.1885]
_cell_angle_beta [92.9388]
_cell_angle_gamma [97.3171]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GeAuClF6]
_chemical_formula_sum '[Ge1 Au1 Cl1 F6]'
_cell_volume [174.9223]
_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
[
  Ge  Ge0  1  0.5414  0.5790  0.3143  1
  Au  Au1  1  0.3665  0.3360  0.7514  1
  Cl  Cl2  1  0.0880  0.1008  0.9064  1
  F  F3  1  0.2152  0.5625  0.3616  1
  F  F4  1  0.2980  0.0860  0.4844  1
  F  F5  1  0.4481  0.6182  0.0239  1
  F  F6  1  0.6286  0.5554  0.6010  1
  F  F7  1  0.6628  0.3059  0.2022  1
  F  F8  1  0.7512  0.8561  0.3545  1
]