# generated using pymatgen
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04919445
_cell_length_b   5.06618605
_cell_length_c   11.64007848
_cell_angle_alpha   90.69140174
_cell_angle_beta   89.41945699
_cell_angle_gamma   100.09188192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O7F)2
_chemical_formula_sum   'Li1 Fe8 O14 F2'
_cell_volume   293.11712629
_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  0.70090500  0.29377500  0.25506300  1
  Fe  Fe1  1  0.00930800  0.98831700  0.00097000  1
  Fe  Fe2  1  0.02345800  0.97145000  0.25017900  1
  Fe  Fe3  1  0.02565100  0.02043600  0.50098100  1
  Fe  Fe4  1  0.00076300  0.98657100  0.74796600  1
  Fe  Fe5  1  0.43641300  0.56321000  0.12041300  1
  Fe  Fe6  1  0.56919100  0.40522900  0.63057100  1
  Fe  Fe7  1  0.43339500  0.56337600  0.86945500  1
  Fe  Fe8  1  0.41718200  0.56949800  0.38011000  1
  O  O9  1  0.18792800  0.81061700  0.12897400  1
  O  O10  1  0.16914700  0.85378700  0.61463500  1
  O  O11  1  0.17652800  0.81942000  0.87448300  1
  O  O12  1  0.18498700  0.82091200  0.37506000  1
  O  O13  1  0.28933500  0.33141700  0.99632000  1
  O  O14  1  0.32086800  0.31569700  0.24797800  1
  O  O15  1  0.32890900  0.31915400  0.50108400  1
  O  O16  1  0.30413900  0.30740100  0.75318300  1
  O  O17  1  0.66736500  0.70643200  0.99637800  1
  O  O18  1  0.68226200  0.67389200  0.25080000  1
  O  O19  1  0.68815400  0.67949600  0.74956400  1
  O  O20  1  0.85958300  0.13368900  0.13666700  1
  O  O21  1  0.86334400  0.14030900  0.37174700  1
  O  O22  1  0.82479300  0.17046600  0.62174100  1
  F  F23  1  0.70500400  0.68519700  0.50025300  1
  F  F24  1  0.82583000  0.16192700  0.87542500  1
