# generated using pymatgen
data_LiFe2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03604164
_cell_length_b   9.69707963
_cell_length_c   9.93431361
_cell_angle_alpha   124.77974047
_cell_angle_beta   105.28677345
_cell_angle_gamma   97.75380447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F9
_chemical_formula_sum   'Li2 Fe4 F18'
_cell_volume   358.58546206
_cell_formula_units_Z   2
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  0.29223900  0.24084500  0.40984500  1
  Li  Li1  1  0.70776100  0.75915500  0.59015500  1
  Fe  Fe2  1  0.01698200  0.54749300  0.76269100  1
  Fe  Fe3  1  0.42221700  0.09747500  0.76338600  1
  Fe  Fe4  1  0.57778300  0.90252500  0.23661400  1
  Fe  Fe5  1  0.98301800  0.45250700  0.23730900  1
  F  F6  1  0.05090500  0.94419600  0.65963800  1
  F  F7  1  0.10533300  0.29628500  0.26433000  1
  F  F8  1  0.28454700  0.65936500  0.42939400  1
  F  F9  1  0.28732500  0.25335600  0.75709100  1
  F  F10  1  0.23839500  0.48892300  0.63770000  1
  F  F11  1  0.14409300  0.43572300  0.09446800  1
  F  F12  1  0.31772400  0.87182400  0.31492300  1
  F  F13  1  0.37733200  0.71773900  0.96953400  1
  F  F14  1  0.56385900  0.94791200  0.78491600  1
  F  F15  1  0.43614100  0.05208800  0.21508400  1
  F  F16  1  0.62266800  0.28226100  0.03046600  1
  F  F17  1  0.68227600  0.12817600  0.68507700  1
  F  F18  1  0.85590700  0.56427700  0.90553200  1
  F  F19  1  0.76160500  0.51107700  0.36230000  1
  F  F20  1  0.71267500  0.74664400  0.24290900  1
  F  F21  1  0.71545300  0.34063500  0.57060600  1
  F  F22  1  0.89466700  0.70371500  0.73567000  1
  F  F23  1  0.94909500  0.05580400  0.34036200  1
