data_[Fe2Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2234]
_cell_length_b [5.5755]
_cell_length_c [6.8350]
_cell_angle_alpha [71.7055]
_cell_angle_beta [70.0502]
_cell_angle_gamma [89.5572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeSnF4]
_chemical_formula_sum '[Fe2 Sn2 F8]'
_cell_volume [176.5501]
_cell_formula_units_Z [2]
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
[
  Fe  Fe0  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.2710  0.7655  0.9562  1.0
  F  F3  2  0.1435  0.6735  0.6322  1.0
  F  F4  2  0.2551  0.1589  0.6335  1.0
  F  F5  2  0.3186  0.0349  0.1860  1.0
  F  F6  2  0.4766  0.5189  0.1901  1.0
]