# generated using pymatgen
data_LiFe8(O3F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97038401
_cell_length_b   6.45620737
_cell_length_c   7.82509819
_cell_angle_alpha   88.61794839
_cell_angle_beta   112.43191802
_cell_angle_gamma   89.99915105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O3F)4
_chemical_formula_sum   'Li1 Fe8 O12 F4'
_cell_volume   278.70855990
_cell_formula_units_Z   1
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  0.91764400  0.25002000  0.25000100  1
  Fe  Fe1  1  0.50583700  0.99796800  0.99522300  1
  Fe  Fe2  1  0.00040000  0.99488300  0.99124500  1
  Fe  Fe3  1  0.72736600  0.50672400  0.94334500  1
  Fe  Fe4  1  0.26107200  0.49609100  0.00846000  1
  Fe  Fe5  1  0.50251300  0.00389200  0.49151200  1
  Fe  Fe6  1  0.03402800  0.99329200  0.55672200  1
  Fe  Fe7  1  0.76049300  0.50201700  0.50479800  1
  Fe  Fe8  1  0.25922500  0.50511000  0.50878600  1
  O  O9  1  0.83498900  0.98313700  0.15424700  1
  O  O10  1  0.52242200  0.30699200  0.01557400  1
  O  O11  1  0.00752200  0.30592600  0.01856400  1
  O  O12  1  0.49309400  0.69314700  0.98121100  1
  O  O13  1  0.75681500  0.19300400  0.48447700  1
  O  O14  1  0.23893900  0.19408800  0.48140800  1
  O  O15  1  0.00098200  0.69181900  0.98107900  1
  O  O16  1  0.16939100  0.01653600  0.82435800  1
  O  O17  1  0.93063900  0.51686700  0.34575600  1
  O  O18  1  0.59500800  0.48342000  0.67564700  1
  O  O19  1  0.76183800  0.80680500  0.51875800  1
  O  O20  1  0.26986500  0.80818600  0.51889000  1
  F  F21  1  0.35396300  0.98678100  0.19661300  1
  F  F22  1  0.65059800  0.01893800  0.78955600  1
  F  F23  1  0.40719300  0.51326500  0.30329900  1
  F  F24  1  0.11108100  0.48109200  0.71047100  1
