data_[Ta2F13]
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 [P-1]
_cell_length_a [5.1630]
_cell_length_b [6.6264]
_cell_length_c [7.7926]
_cell_angle_alpha [66.2430]
_cell_angle_beta [80.2221]
_cell_angle_gamma [80.3563]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2F13]
_chemical_formula_sum '[Ta2 F13]'
_cell_volume [239.0101]
_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  2  0.1839  0.1212  0.7219  1.0
  F  F1  2  0.0641  0.8780  0.7049  1.0
  F  F2  2  0.1517  0.7014  0.3399  1.0
  F  F3  2  0.2186  0.3770  0.7785  1.0
  F  F4  2  0.3565  0.2281  0.4783  1.0
  F  F5  2  0.4408  0.5076  0.0856  1.0
  F  F6  2  0.4923  0.9690  0.8339  1.0
  F  F7  1  0.0000  0.0000  0.0000  1.0
]