data_[Li2Fe3F8]
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 [P-1]
_cell_length_a [5.3481]
_cell_length_b [5.6908]
_cell_length_c [5.9274]
_cell_angle_alpha [73.3747]
_cell_angle_beta [89.8486]
_cell_angle_gamma [62.6681]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Fe3F8]
_chemical_formula_sum '[Li2 Fe3 F8]'
_cell_volume [151.7934]
_cell_formula_units_Z [1]
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  0.4471  0.0897  0.2437  1.0
  Fe  Fe1  2  0.2351  0.5302  0.6399  1.0
  Fe  Fe2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2152  0.2710  0.4571  1.0
  F  F4  2  0.2182  0.2340  0.9385  1.0
  F  F5  2  0.2818  0.7657  0.8148  1.0
  F  F6  2  0.3145  0.7641  0.3170  1.0
]