data_[Ta1H1F6]
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 [5.2358]
_cell_length_b [5.2690]
_cell_length_c [5.3536]
_cell_angle_alpha [111.0445]
_cell_angle_beta [115.6642]
_cell_angle_gamma [97.0905]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaHF6]
_chemical_formula_sum '[Ta1 H1 F6]'
_cell_volume [117.2109]
_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  1.0
  H  H1  1  0.0000  0.5000  0.5000  1.0
  F  F2  2  0.0450  0.2903  0.3972  1.0
  F  F3  2  0.1990  0.8046  0.2186  1.0
  F  F4  2  0.3735  0.2303  0.1034  1.0
]