data_[Li4Co4O2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2814]
_cell_length_b [6.6916]
_cell_length_c [8.6148]
_cell_angle_alpha [72.3043]
_cell_angle_beta [72.9313]
_cell_angle_gamma [83.5950]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Co2OF6]
_chemical_formula_sum '[Li4 Co4 O2 F12]'
_cell_volume [277.1892]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.1548  0.4391  0.2619  1
  Li  Li1  2  0.3909  0.7612  0.6532  1
  Co  Co2  2  0.2391  0.2218  0.7002  1
  Co  Co3  2  0.3079  0.0020  0.1793  1
  O  O4  2  0.4262  0.8788  0.3638  1
  F  F5  2  0.0840  0.9396  0.7270  1
  F  F6  2  0.1652  0.7414  0.2014  1
  F  F7  2  0.2149  0.5009  0.7222  1
  F  F8  2  0.2428  0.3193  0.4662  1
  F  F9  2  0.2930  0.0954  0.9452  1
  F  F10  2  0.4230  0.2611  0.1627  1
]