data_[Ta4F16]
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 [P4bm]
_cell_length_a [7.9551]
_cell_length_b [7.9551]
_cell_length_c [19.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [TaF4]
_chemical_formula_sum '[Ta4 F16]'
_cell_volume [1208.0712]
_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  2  0.0000  0.0000  0.4918  1
  Ta  Ta1  2  0.0000  0.5000  0.5107  1
  F  F2  8  0.0377  0.7678  0.5311  1
  F  F3  4  0.1131  0.3869  0.4341  1
  F  F4  2  0.0000  0.0000  0.3954  1
  F  F5  2  0.0000  0.5000  0.6096  1
]