data_[Sn2H2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9328]
_cell_length_b [5.7422]
_cell_length_c [6.0466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnHF3]
_chemical_formula_sum '[Sn2 H2 F6]'
_cell_volume [160.9655]
_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
[
  Sn  Sn0  2  0.1705  0.7500  0.8306  1.0
  H  H1  2  0.3220  0.7500  0.3856  1.0
  F  F2  2  0.1067  0.7500  0.1747  1.0
  F  F3  2  0.4661  0.7500  0.5533  1.0
  F  F4  2  0.5000  0.0000  0.0000  1.0
]