data_[Li2Co6O4F12]
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 [P2_1]
_cell_length_a [5.5189]
_cell_length_b [4.6021]
_cell_length_c [10.2806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiCo3(OF3)2]
_chemical_formula_sum '[Li2 Co6 O4 F12]'
_cell_volume [258.9730]
_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  0.4990  0.9983  0.7478  1
  Co  Co1  4  0.2301  0.4701  0.4976  1
  Co  Co2  2  0.0008  0.9994  0.2490  1
  O  O3  4  0.0275  0.3086  0.9216  1
  F  F4  4  0.2169  0.8024  0.8241  1
  F  F5  4  0.2700  0.1980  0.1742  1
  F  F6  4  0.4669  0.7738  0.5634  1
]