data_[Tl1Sb1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  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 [5.0523]
_cell_length_b [5.1550]
_cell_length_c [8.1451]
_cell_angle_alpha [99.2508]
_cell_angle_beta [90.9445]
_cell_angle_gamma [110.7026]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSbH2F8]
_chemical_formula_sum '[Tl1 Sb1 H2 F8]'
_cell_volume [195.2375]
_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
  Sb  Sb1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4435  0.6782  0.7059  1.0
  F  F3  2  0.2206  0.1971  0.8382  1.0
  F  F4  2  0.2206  0.7677  0.9860  1.0
  F  F5  2  0.2551  0.2572  0.1869  1.0
  F  F6  2  0.3190  0.6501  0.6089  1.0
]