# generated using pymatgen
data_Li5FeOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15147317
_cell_length_b   9.83990871
_cell_length_c   8.96309537
_cell_angle_alpha   81.91386012
_cell_angle_beta   89.56000215
_cell_angle_gamma   85.32611589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeOF5
_chemical_formula_sum   'Li20 Fe4 O4 F20'
_cell_volume   448.32324279
_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  0.89475800  0.73933300  0.52871800  1
  Li  Li1  1  0.39477200  0.73935700  0.02872300  1
  Li  Li2  1  0.09568100  0.23933500  0.46172700  1
  Li  Li3  1  0.59571600  0.23932400  0.96172700  1
  Li  Li4  1  0.36051400  0.74591200  0.37500100  1
  Li  Li5  1  0.86055500  0.74594700  0.87499900  1
  Li  Li6  1  0.63230600  0.24588900  0.61772100  1
  Li  Li7  1  0.13228800  0.24591100  0.11774900  1
  Li  Li8  1  0.88544800  0.74418900  0.22296400  1
  Li  Li9  1  0.38544400  0.74420500  0.72295600  1
  Li  Li10  1  0.14174400  0.24419700  0.80417800  1
  Li  Li11  1  0.64177100  0.24418100  0.30422300  1
  Li  Li12  1  0.24190900  0.50835900  0.57205300  1
  Li  Li13  1  0.74201600  0.50834600  0.07208900  1
  Li  Li14  1  0.98714400  0.00835300  0.65700800  1
  Li  Li15  1  0.48713400  0.00834600  0.15701700  1
  Li  Li16  1  0.76222800  0.50977200  0.41436400  1
  Li  Li17  1  0.26218900  0.50979100  0.91435000  1
  Li  Li18  1  0.49041500  0.00974900  0.83825500  1
  Li  Li19  1  0.99039100  0.00976400  0.33828400  1
  Fe  Fe20  1  0.73838400  0.50637900  0.75965300  1
  Fe  Fe21  1  0.01998600  0.00643300  0.99905300  1
  Fe  Fe22  1  0.23861200  0.50642300  0.25959300  1
  Fe  Fe23  1  0.51999500  0.00642900  0.49904600  1
  O  O24  1  0.06820900  0.62200600  0.39347500  1
  O  O25  1  0.56833900  0.62207100  0.89353600  1
  O  O26  1  0.80615100  0.12196100  0.48088000  1
  O  O27  1  0.30611300  0.12198700  0.98084500  1
  F  F28  1  0.19277900  0.87175600  0.19146500  1
  F  F29  1  0.69278900  0.87178300  0.69146300  1
  F  F30  1  0.44083200  0.37179600  0.44217000  1
  F  F31  1  0.94078000  0.37177200  0.94219500  1
  F  F32  1  0.57519500  0.62624700  0.22344700  1
  F  F33  1  0.07516700  0.62628100  0.72347500  1
  F  F34  1  0.29769800  0.12627000  0.64934900  1
  F  F35  1  0.79766600  0.12625700  0.14937800  1
  F  F36  1  0.68882700  0.87017300  0.34919700  1
  F  F37  1  0.18887300  0.87017100  0.84920600  1
  F  F38  1  0.42944300  0.37014100  0.76900900  1
  F  F39  1  0.92943700  0.37015500  0.26905400  1
  F  F40  1  0.20779400  0.87957400  0.52006900  1
  F  F41  1  0.70776200  0.87955900  0.02011300  1
  F  F42  1  0.92603800  0.37951400  0.61391700  1
  F  F43  1  0.42617700  0.37954400  0.11391500  1
  F  F44  1  0.56523000  0.62626400  0.55573600  1
  F  F45  1  0.06532700  0.62627800  0.05573900  1
  F  F46  1  0.80098100  0.12627300  0.81044900  1
  F  F47  1  0.30099400  0.12624800  0.31047000  1
