data_[Co16F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.5501]
_cell_length_b [13.2281]
_cell_length_c [4.7810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Co2F5]
_chemical_formula_sum '[Co16 F40]'
_cell_volume [603.9869]
_cell_formula_units_Z [8]
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
[
  Co  Co0  16  0.1017  0.3215  0.6694  1
  F  F1  16  0.0237  0.1950  0.5167  1
  F  F2  16  0.0509  0.0951  0.0715  1
  F  F3  8  0.0000  0.0000  0.5908  1
]