# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13360300
_cell_length_b   7.35941900
_cell_length_c   9.85345328
_cell_angle_alpha   69.76072970
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF5
_chemical_formula_sum   'Li8 Fe4 F20'
_cell_volume   349.28158146
_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  0.75292200  0.47330500  0.25683500  1
  Li  Li1  1  0.74707800  0.97330500  0.25683500  1
  Li  Li2  1  0.28286500  0.38866800  0.50628400  1
  Li  Li3  1  0.78286500  0.11133200  0.49371600  1
  Li  Li4  1  0.21713500  0.88866800  0.50628400  1
  Li  Li5  1  0.71713500  0.61133200  0.49371600  1
  Li  Li6  1  0.25292200  0.02669500  0.74316500  1
  Li  Li7  1  0.24707800  0.52669500  0.74316500  1
  Fe  Fe8  1  0.24822300  0.21324600  0.14815300  1
  Fe  Fe9  1  0.25177700  0.71324600  0.14815300  1
  Fe  Fe10  1  0.74822300  0.28675400  0.85184700  1
  Fe  Fe11  1  0.75177700  0.78675400  0.85184700  1
  F  F12  1  0.57335300  0.16567400  0.04618500  1
  F  F13  1  0.92664700  0.66567400  0.04618500  1
  F  F14  1  0.40339500  0.46129800  0.14365400  1
  F  F15  1  0.09660500  0.96129800  0.14365400  1
  F  F16  1  0.93456000  0.24357900  0.23920000  1
  F  F17  1  0.42089100  0.06955000  0.32118700  1
  F  F18  1  0.56544000  0.74357900  0.23920000  1
  F  F19  1  0.07910900  0.56955000  0.32118700  1
  F  F20  1  0.62924300  0.36728500  0.44533200  1
  F  F21  1  0.87075700  0.86728500  0.44533200  1
  F  F22  1  0.12924300  0.13271500  0.55466800  1
  F  F23  1  0.37075700  0.63271500  0.55466800  1
  F  F24  1  0.92089100  0.43045000  0.67881300  1
  F  F25  1  0.43456000  0.25642100  0.76080000  1
  F  F26  1  0.57910900  0.93045000  0.67881300  1
  F  F27  1  0.06544000  0.75642100  0.76080000  1
  F  F28  1  0.90339500  0.03870200  0.85634700  1
  F  F29  1  0.59660500  0.53870200  0.85634700  1
  F  F30  1  0.07335300  0.33432600  0.95381500  1
  F  F31  1  0.42664700  0.83432600  0.95381500  1
