data_[Li2Fe2O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1363]
_cell_length_b [5.8441]
_cell_length_c [5.3760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiFe(OF)2]
_chemical_formula_sum '[Li2 Fe2 O4 F4]'
_cell_volume [147.0704]
_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  0.4798  0.2500  1
  Fe  Fe1  2  0.0000  0.1174  0.2500  1
  O  O2  4  0.1909  0.1019  0.0147  1
  F  F3  4  0.2751  0.3536  0.4295  1
]