data_[Ta1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [5.1736]
_cell_length_b [5.3567]
_cell_length_c [7.1352]
_cell_angle_alpha [89.1518]
_cell_angle_beta [69.0785]
_cell_angle_gamma [71.0151]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaH2F8]
_chemical_formula_sum '[Ta1 H2 F8]'
_cell_volume [173.5033]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.0000  1
  H  H1  2  0.1178  0.3133  0.3182  1
  F  F2  2  0.0076  0.1632  0.2426  1
  F  F3  2  0.1432  0.2495  0.8421  1
  F  F4  2  0.2016  0.4201  0.3858  1
  F  F5  2  0.3978  0.7674  0.9377  1
]