data_[Ti4Fe4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7857]
_cell_length_b [6.4434]
_cell_length_c [7.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiFeF5]
_chemical_formula_sum '[Ti4 Fe4 F20]'
_cell_volume [385.2746]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.0000  0.4713  0.2500  1.0
  F  F2  8  0.0146  0.3098  0.9617  1.0
  F  F3  8  0.2387  0.0257  0.6261  1.0
  F  F4  4  0.0000  0.1204  0.2500  1.0
]