data_[Li3Co3F9]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1079]
_cell_length_b [5.1198]
_cell_length_c [7.5688]
_cell_angle_alpha [89.5473]
_cell_angle_beta [89.7881]
_cell_angle_gamma [60.1152]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCoF3]
_chemical_formula_sum '[Li3 Co3 F9]'
_cell_volume [171.6105]
_cell_formula_units_Z [3]
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  1  0.0036  0.0016  0.3454  1
  Li  Li1  1  0.3370  0.3342  0.2629  1
  Li  Li2  1  0.9977  0.9959  0.6578  1
  Co  Co3  1  0.3299  0.3342  0.6775  1
  Co  Co4  1  0.6671  0.6693  0.3447  1
  Co  Co5  1  0.9965  0.0037  0.9953  1
  F  F6  1  0.0175  0.3228  0.4904  1
  F  F7  1  0.0355  0.6828  0.8180  1
  F  F8  1  0.2780  0.0294  0.8156  1
  F  F9  1  0.3190  0.9868  0.1900  1
  F  F10  1  0.3221  0.6604  0.4895  1
  F  F11  1  0.6604  0.0184  0.4887  1
  F  F12  1  0.6815  0.2748  0.8160  1
  F  F13  1  0.7031  0.3187  0.1904  1
  F  F14  1  0.9887  0.7022  0.1902  1
]