data_[Li2Co2F8]
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 [P2_1/c]
_cell_length_a [5.3445]
_cell_length_b [4.5760]
_cell_length_c [5.4614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCoF4]
_chemical_formula_sum '[Li2 Co2 F8]'
_cell_volume [121.6357]
_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  0.5000  0.0000  0.5000  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  F  F2  4  0.1539  0.2055  0.3475  1
  F  F3  4  0.3327  0.6961  0.6351  1
]