data_[Li2Co12O4F20]
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 [Cm]
_cell_length_a [6.8187]
_cell_length_b [6.8595]
_cell_length_c [9.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCo6(OF5)2]
_chemical_formula_sum '[Li2 Co12 O4 F20]'
_cell_volume [452.1558]
_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  0.2225  0.0000  0.1913  1
  Co  Co1  2  0.0431  0.0000  0.9818  1
  Co  Co2  2  0.0631  0.5000  0.1402  1
  Co  Co3  2  0.4380  0.5000  0.3483  1
  Co  Co4  2  0.4858  0.0000  0.4969  1
  Co  Co5  2  0.4905  0.5000  0.6649  1
  Co  Co6  2  0.4956  0.0000  0.8359  1
  O  O7  2  0.1554  0.5000  0.3171  1
  O  O8  2  0.3429  0.0000  0.0184  1
  F  F9  4  0.0142  0.1985  0.8276  1
  F  F10  4  0.0204  0.1856  0.1616  1
  F  F11  4  0.4598  0.3006  0.5048  1
  F  F12  2  0.1844  0.5000  0.6652  1
  F  F13  2  0.2362  0.5000  0.9834  1
  F  F14  2  0.2402  0.0000  0.3703  1
  F  F15  2  0.2942  0.0000  0.6696  1
]