data_[Ta4H36N12F20]
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
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4707]
_cell_length_b [12.1633]
_cell_length_c [10.4927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaH9N3F5]
_chemical_formula_sum '[Ta4 H36 N12 F20]'
_cell_volume [696.2403]
_cell_formula_units_Z [4]
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  4  0.4638  0.1344  0.2647  1
  H  H1  4  0.0400  0.0326  0.1524  1
  H  H2  4  0.1118  0.2214  0.8277  1
  H  H3  4  0.1827  0.6097  0.0322  1
  H  H4  4  0.2219  0.5689  0.7077  1
  H  H5  4  0.2674  0.5117  0.5679  1
  H  H6  4  0.3124  0.7275  0.9970  1
  H  H7  4  0.3236  0.1981  0.9449  1
  H  H8  4  0.3439  0.1407  0.8002  1
  H  H9  4  0.4473  0.6101  0.9668  1
  N  N10  4  0.2165  0.0036  0.1579  1
  N  N11  4  0.2956  0.2101  0.8482  1
  N  N12  4  0.3475  0.6498  0.0313  1
  F  F13  4  0.2048  0.0878  0.3736  1
  F  F14  4  0.2582  0.2118  0.1313  1
  F  F15  4  0.2756  0.7475  0.2418  1
  F  F16  4  0.3618  0.5942  0.3923  1
  F  F17  4  0.3790  0.0077  0.6856  1
]