# generated using pymatgen
data_Li3FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62456600
_cell_length_b   7.74515200
_cell_length_c   8.13762000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF5
_chemical_formula_sum   'Li12 Fe4 F20'
_cell_volume   417.52720903
_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  1  0.48573700  0.07207400  0.27100400  1
  Li  Li1  1  0.48573700  0.42792600  0.27100400  1
  Li  Li2  1  0.71037500  0.25000000  0.02730400  1
  Li  Li3  1  0.78962500  0.75000000  0.52730400  1
  Li  Li4  1  0.01426300  0.92792600  0.77100400  1
  Li  Li5  1  0.01426300  0.57207400  0.77100400  1
  Li  Li6  1  0.98573700  0.42792600  0.22899600  1
  Li  Li7  1  0.98573700  0.07207400  0.22899600  1
  Li  Li8  1  0.21037500  0.25000000  0.47269600  1
  Li  Li9  1  0.28962500  0.75000000  0.97269600  1
  Li  Li10  1  0.51426300  0.57207400  0.72899600  1
  Li  Li11  1  0.51426300  0.92792600  0.72899600  1
  Fe  Fe12  1  0.77140600  0.25000000  0.59989400  1
  Fe  Fe13  1  0.72859400  0.75000000  0.09989400  1
  Fe  Fe14  1  0.27140600  0.25000000  0.90010600  1
  Fe  Fe15  1  0.22859400  0.75000000  0.40010600  1
  F  F16  1  0.49054200  0.75000000  0.54798000  1
  F  F17  1  0.59005000  0.25000000  0.80933100  1
  F  F18  1  0.56967300  0.75000000  0.88129900  1
  F  F19  1  0.72466100  0.48889900  0.14391100  1
  F  F20  1  0.72466100  0.01110100  0.14391100  1
  F  F21  1  0.77533900  0.98889900  0.64391100  1
  F  F22  1  0.77533900  0.51110100  0.64391100  1
  F  F23  1  0.93032700  0.25000000  0.38129900  1
  F  F24  1  0.90995000  0.75000000  0.30933100  1
  F  F25  1  0.00945800  0.25000000  0.04798000  1
  F  F26  1  0.99054200  0.75000000  0.95202000  1
  F  F27  1  0.09005000  0.25000000  0.69066900  1
  F  F28  1  0.06967300  0.75000000  0.61870100  1
  F  F29  1  0.22466100  0.48889900  0.35608900  1
  F  F30  1  0.22466100  0.01110100  0.35608900  1
  F  F31  1  0.27533900  0.51110100  0.85608900  1
  F  F32  1  0.27533900  0.98889900  0.85608900  1
  F  F33  1  0.43032700  0.25000000  0.11870100  1
  F  F34  1  0.40995000  0.75000000  0.19066900  1
  F  F35  1  0.50945800  0.25000000  0.45202000  1
