data_[Ta3F10]
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 [6.1424]
_cell_length_b [7.1069]
_cell_length_c [19.4708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [109.7933]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta3F10]
_chemical_formula_sum '[Ta3 F10]'
_cell_volume [799.7601]
_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  0.1738  0.1298  0.4713  1
  Ta  Ta1  1  0.3594  0.6874  0.5290  1
  Ta  Ta2  1  0.6132  0.2625  0.5106  1
  F  F3  1  0.0495  0.0880  0.5630  1
  F  F4  1  0.1525  0.6161  0.6043  1
  F  F5  1  0.1678  0.8385  0.4828  1
  F  F6  1  0.1779  0.4230  0.4823  1
  F  F7  1  0.1885  0.1372  0.3747  1
  F  F8  1  0.5155  0.9827  0.5638  1
  F  F9  1  0.5320  0.4956  0.5642  1
  F  F10  1  0.5457  0.7464  0.4502  1
  F  F11  1  0.7352  0.4676  0.4464  1
  F  F12  1  0.7888  0.1251  0.4573  1
]