# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49040600
_cell_length_b   7.22456200
_cell_length_c   19.19966900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF5
_chemical_formula_sum   'Li16 Fe8 F40'
_cell_volume   761.56981883
_cell_formula_units_Z   8
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  0.50000000  0.10261800  0.65332400  1
  Li  Li1  1  0.00000000  0.19355100  0.08289000  1
  Li  Li2  1  0.00000000  0.26493800  0.73551900  1
  Li  Li3  1  0.50000000  0.20104100  0.51600300  1
  Li  Li4  1  0.50000000  0.29895900  0.01600300  1
  Li  Li5  1  0.00000000  0.23506200  0.23551900  1
  Li  Li6  1  0.00000000  0.30644900  0.58289000  1
  Li  Li7  1  0.50000000  0.39738200  0.15332400  1
  Li  Li8  1  0.50000000  0.60261800  0.84667600  1
  Li  Li9  1  0.00000000  0.69355100  0.41711000  1
  Li  Li10  1  0.00000000  0.76493800  0.76448100  1
  Li  Li11  1  0.50000000  0.70104100  0.98399700  1
  Li  Li12  1  0.50000000  0.79895900  0.48399700  1
  Li  Li13  1  0.00000000  0.73506200  0.26448100  1
  Li  Li14  1  0.00000000  0.80644900  0.91711000  1
  Li  Li15  1  0.50000000  0.89738200  0.34667600  1
  Fe  Fe16  1  0.50000000  0.01011300  0.84312400  1
  Fe  Fe17  1  0.00000000  0.12732100  0.39725600  1
  Fe  Fe18  1  0.00000000  0.37267900  0.89725600  1
  Fe  Fe19  1  0.50000000  0.48988700  0.34312400  1
  Fe  Fe20  1  0.50000000  0.51011300  0.65687600  1
  Fe  Fe21  1  0.00000000  0.62732100  0.10274400  1
  Fe  Fe22  1  0.00000000  0.87267900  0.60274400  1
  Fe  Fe23  1  0.50000000  0.98988700  0.15687600  1
  F  F24  1  0.00000000  0.01916500  0.30342700  1
  F  F25  1  0.26019600  0.04265800  0.57289700  1
  F  F26  1  0.73980400  0.04265800  0.57289700  1
  F  F27  1  0.50000000  0.06994900  0.06106800  1
  F  F28  1  0.75821000  0.17755000  0.16501400  1
  F  F29  1  0.24179000  0.17755000  0.16501400  1
  F  F30  1  0.50000000  0.05233000  0.74657900  1
  F  F31  1  0.25116000  0.20460900  0.85851500  1
  F  F32  1  0.74884000  0.20460900  0.85851500  1
  F  F33  1  0.00000000  0.22754100  0.98158200  1
  F  F34  1  0.00000000  0.27245900  0.48158200  1
  F  F35  1  0.25116000  0.29539100  0.35851500  1
  F  F36  1  0.74884000  0.29539100  0.35851500  1
  F  F37  1  0.50000000  0.44767000  0.24657900  1
  F  F38  1  0.24179000  0.32245000  0.66501400  1
  F  F39  1  0.75821000  0.32245000  0.66501400  1
  F  F40  1  0.50000000  0.43005100  0.56106800  1
  F  F41  1  0.26019600  0.45734200  0.07289700  1
  F  F42  1  0.73980400  0.45734200  0.07289700  1
  F  F43  1  0.00000000  0.48083500  0.80342700  1
  F  F44  1  0.00000000  0.51916500  0.19657300  1
  F  F45  1  0.26019600  0.54265800  0.92710300  1
  F  F46  1  0.73980400  0.54265800  0.92710300  1
  F  F47  1  0.50000000  0.56994900  0.43893200  1
  F  F48  1  0.24179000  0.67755000  0.33498600  1
  F  F49  1  0.75821000  0.67755000  0.33498600  1
  F  F50  1  0.50000000  0.55233000  0.75342100  1
  F  F51  1  0.25116000  0.70460900  0.64148500  1
  F  F52  1  0.74884000  0.70460900  0.64148500  1
  F  F53  1  0.00000000  0.72754100  0.51841800  1
  F  F54  1  0.00000000  0.77245900  0.01841800  1
  F  F55  1  0.25116000  0.79539100  0.14148500  1
  F  F56  1  0.74884000  0.79539100  0.14148500  1
  F  F57  1  0.50000000  0.94767000  0.25342100  1
  F  F58  1  0.24179000  0.82245000  0.83498600  1
  F  F59  1  0.75821000  0.82245000  0.83498600  1
  F  F60  1  0.50000000  0.93005100  0.93893200  1
  F  F61  1  0.26019600  0.95734200  0.42710300  1
  F  F62  1  0.73980400  0.95734200  0.42710300  1
  F  F63  1  0.00000000  0.98083500  0.69657300  1
