data_[Sn4Au4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5905]
_cell_length_b [4.9267]
_cell_length_c [6.4489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SnAuF]
_chemical_formula_sum '[Sn4 Au4 F4]'
_cell_volume [248.4894]
_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
[
  Sn  Sn0  2  0.0000  0.3582  0.0000  1.0
  Sn  Sn1  2  0.0000  0.7285  0.5000  1.0
  Au  Au2  4  0.1555  0.8573  0.9626  1.0
  F  F3  4  0.1280  0.4037  0.4117  1.0
]