# generated using pymatgen
data_LiFe2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03604200
_cell_length_b   8.28405770
_cell_length_c   9.69707944
_cell_angle_alpha   113.85956161
_cell_angle_beta   97.75380334
_cell_angle_gamma   97.69028984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F9
_chemical_formula_sum   'Li2 Fe4 F18'
_cell_volume   358.58549127
_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  0.88239400  0.75915500  0.83100100  1
  Li  Li1  1  0.11760600  0.24084500  0.16899900  1
  Fe  Fe2  1  0.25429100  0.45250700  0.78480200  1
  Fe  Fe3  1  0.65883000  0.90252500  0.33408900  1
  Fe  Fe4  1  0.34117000  0.09747500  0.66591100  1
  Fe  Fe5  1  0.74570900  0.54749300  0.21519800  1
  F  F6  1  0.39126700  0.05580400  0.28455700  1
  F  F7  1  0.84100300  0.70371500  0.03195500  1
  F  F8  1  0.85515300  0.34063500  0.22997100  1
  F  F9  1  0.53023400  0.74664400  0.49626500  1
  F  F10  1  0.60069500  0.51107700  0.85122200  1
  F  F11  1  0.04962500  0.56427700  0.34125500  1
  F  F12  1  0.00280000  0.12817600  0.55690100  1
  F  F13  1  0.40779800  0.28226100  0.74820500  1
  F  F14  1  0.77894300  0.05208800  0.16299600  1
  F  F15  1  0.22105700  0.94791200  0.83700400  1
  F  F16  1  0.59220200  0.71773900  0.25179500  1
  F  F17  1  0.99720000  0.87182400  0.44309900  1
  F  F18  1  0.95037500  0.43572300  0.65874500  1
  F  F19  1  0.39930500  0.48892300  0.14877800  1
  F  F20  1  0.46976600  0.25335600  0.50373500  1
  F  F21  1  0.14484700  0.65936500  0.77002900  1
  F  F22  1  0.15899700  0.29628500  0.96804500  1
  F  F23  1  0.60873300  0.94419600  0.71544300  1
