# generated using pymatgen
data_Li3FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75839000
_cell_length_b   5.75839000
_cell_length_c   11.06589400
_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   366.93459211
_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  0.01485700  0.16856400  0.32128600  1
  Li  Li1  1  0.08562100  0.32486300  0.84646900  1
  Li  Li2  1  0.21105000  0.44237300  0.61163600  1
  Li  Li3  1  0.16856400  0.98514300  0.07128600  1
  Li  Li4  1  0.32486300  0.91437900  0.59646900  1
  Li  Li5  1  0.44237300  0.78895000  0.36163600  1
  Li  Li6  1  0.55762700  0.21105000  0.86163600  1
  Li  Li7  1  0.67513700  0.08562100  0.09646900  1
  Li  Li8  1  0.83143600  0.01485700  0.57128600  1
  Li  Li9  1  0.78895000  0.55762700  0.11163600  1
  Li  Li10  1  0.91437900  0.67513700  0.34646900  1
  Li  Li11  1  0.98514300  0.83143600  0.82128600  1
  Fe  Fe12  1  0.28744500  0.49126600  0.14360100  1
  Fe  Fe13  1  0.49126600  0.71255500  0.89360100  1
  Fe  Fe14  1  0.50873400  0.28744500  0.39360100  1
  Fe  Fe15  1  0.71255500  0.50873400  0.64360100  1
  F  F16  1  0.97363200  0.25503900  0.14339400  1
  F  F17  1  0.01317300  0.77418900  0.17671800  1
  F  F18  1  0.15772400  0.57763100  0.96889400  1
  F  F19  1  0.22581100  0.01317300  0.42671800  1
  F  F20  1  0.20098100  0.48395300  0.32979500  1
  F  F21  1  0.25503900  0.02636800  0.89339400  1
  F  F22  1  0.42236900  0.15772400  0.21889400  1
  F  F23  1  0.37396600  0.44233700  0.76964800  1
  F  F24  1  0.55766300  0.37396600  0.01964800  1
  F  F25  1  0.48395300  0.79901900  0.07979500  1
  F  F26  1  0.51604700  0.20098100  0.57979500  1
  F  F27  1  0.44233700  0.62603400  0.51964800  1
  F  F28  1  0.62603400  0.55766300  0.26964800  1
  F  F29  1  0.57763100  0.84227600  0.71889400  1
  F  F30  1  0.74496100  0.97363200  0.39339400  1
  F  F31  1  0.79901900  0.51604700  0.82979500  1
  F  F32  1  0.77418900  0.98682700  0.92671800  1
  F  F33  1  0.84227600  0.42236900  0.46889400  1
  F  F34  1  0.98682700  0.22581100  0.67671800  1
  F  F35  1  0.02636800  0.74496100  0.64339400  1
