data_[Ta2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6496]
_cell_length_b [5.9095]
_cell_length_c [19.4043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.8795]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaF4]
_chemical_formula_sum '[Ta2 F8]'
_cell_volume [647.4921]
_cell_formula_units_Z [2]
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  0.0219  0.2127  0.4711  1
  Ta  Ta1  1  0.1833  0.5883  0.5284  1
  F  F2  1  0.0245  0.8971  0.5183  1
  F  F3  1  0.2155  0.1420  0.3974  1
  F  F4  1  0.2253  0.6264  0.6244  1
  F  F5  1  0.2992  0.2595  0.5445  1
  F  F6  1  0.4622  0.6665  0.4817  1
  F  F7  1  0.6996  0.1668  0.4471  1
  F  F8  1  0.8747  0.4011  0.5543  1
  F  F9  1  0.9939  0.5397  0.4329  1
]