data_[Tl1Sn1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [P-1]
_cell_length_a [4.8695]
_cell_length_b [5.0380]
_cell_length_c [7.2998]
_cell_angle_alpha [98.2603]
_cell_angle_beta [92.9621]
_cell_angle_gamma [105.1706]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSnH2F8]
_chemical_formula_sum '[Tl1 Sn1 H2 F8]'
_cell_volume [170.3017]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3010  0.5447  0.3339  1.0
  F  F3  2  0.2070  0.2041  0.8013  1.0
  F  F4  2  0.2219  0.2666  0.2400  1.0
  F  F5  2  0.2585  0.7676  0.0051  1.0
  F  F6  2  0.3478  0.7142  0.4336  1.0
]