data_[Sn1Te2Au2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0805]
_cell_length_b [4.0805]
_cell_length_c [8.3476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [SnTe2(AuF)2]
_chemical_formula_sum '[Sn1 Te2 Au2 F2]'
_cell_volume [138.9890]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.0000  1
  Te  Te1  2  0.0000  0.5000  0.7090  1
  Au  Au2  2  0.0000  0.5000  0.2246  1
  F  F3  1  0.0000  0.0000  0.5000  1
  F  F4  1  0.5000  0.5000  0.5000  1
]