data_[Sn8O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4028]
_cell_length_b [8.1726]
_cell_length_c [5.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2OF2]
_chemical_formula_sum '[Sn8 O4 F8]'
_cell_volume [398.5544]
_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  4  0.0000  0.2973  0.5000  1.0
  Sn  Sn1  4  0.2188  0.0000  0.0122  1.0
  O  O2  4  0.1080  0.5000  0.6945  1.0
  F  F3  8  0.1745  0.3168  0.2011  1.0
]