data_[Li8Fe4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1672]
_cell_length_b [5.7377]
_cell_length_c [5.4093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2FeF4]
_chemical_formula_sum '[Li8 Fe4 F16]'
_cell_volume [315.0191]
_cell_formula_units_Z [4]
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  8  0.2017  0.1399  0.7847  1.0
  Fe  Fe1  4  0.0000  0.3541  0.2500  1.0
  F  F2  8  0.1178  0.3859  0.5907  1.0
  F  F3  8  0.1446  0.1412  0.1176  1.0
]