# generated using pymatgen
data_Li2Fe4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89966953
_cell_length_b   8.89966953
_cell_length_c   10.67449053
_cell_angle_alpha   85.71374648
_cell_angle_beta   85.71374648
_cell_angle_gamma   62.26936571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe4OF8
_chemical_formula_sum   'Li8 Fe16 O4 F32'
_cell_volume   745.49954626
_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  0.67040600  0.67538300  0.70814100  1
  Li  Li1  1  0.67538300  0.67040600  0.20814100  1
  Li  Li2  1  0.00875600  0.00045600  0.49513500  1
  Li  Li3  1  0.00045600  0.00875600  0.99513500  1
  Li  Li4  1  0.35218800  0.32406700  0.79722300  1
  Li  Li5  1  0.32406700  0.35218800  0.29722300  1
  Li  Li6  1  0.30042000  0.00090000  0.74529300  1
  Li  Li7  1  0.00090000  0.30042000  0.24529300  1
  Fe  Fe8  1  0.99235000  0.68710000  0.75526600  1
  Fe  Fe9  1  0.68710000  0.99235000  0.25526600  1
  Fe  Fe10  1  0.66755800  0.90730600  0.94255500  1
  Fe  Fe11  1  0.90730600  0.66755800  0.44255500  1
  Fe  Fe12  1  0.84790700  0.49393900  0.95529300  1
  Fe  Fe13  1  0.49393900  0.84790700  0.45529300  1
  Fe  Fe14  1  0.35940100  0.68866200  0.94785100  1
  Fe  Fe15  1  0.68866200  0.35940100  0.44785100  1
  Fe  Fe16  1  0.83734200  0.15801100  0.74894800  1
  Fe  Fe17  1  0.15801100  0.83734200  0.24894800  1
  Fe  Fe18  1  0.32052500  0.64818300  0.53025800  1
  Fe  Fe19  1  0.64818300  0.32052500  0.03025800  1
  Fe  Fe20  1  0.51915300  0.14640700  0.54398300  1
  Fe  Fe21  1  0.14640700  0.51915300  0.04398300  1
  Fe  Fe22  1  0.05844100  0.35593900  0.58395500  1
  Fe  Fe23  1  0.35593900  0.05844100  0.08395500  1
  O  O24  1  0.78323700  0.70649200  0.85327600  1
  O  O25  1  0.91455800  0.58705100  0.61884600  1
  O  O26  1  0.70649200  0.78323700  0.35327600  1
  O  O27  1  0.58705100  0.91455800  0.11884600  1
  F  F28  1  0.93418400  0.92652600  0.66360000  1
  F  F29  1  0.92652600  0.93418400  0.16360000  1
  F  F30  1  0.56703900  0.91114100  0.61829900  1
  F  F31  1  0.91114100  0.56703900  0.11829900  1
  F  F32  1  0.42949000  0.76596100  0.79421800  1
  F  F33  1  0.73305900  0.39243000  0.83889900  1
  F  F34  1  0.76596100  0.42949000  0.29421800  1
  F  F35  1  0.39243000  0.73305900  0.33889900  1
  F  F36  1  0.26308500  0.90532400  0.55354700  1
  F  F37  1  0.57785300  0.57831700  0.55439100  1
  F  F38  1  0.90408000  0.23984200  0.56342200  1
  F  F39  1  0.90532400  0.26308500  0.05354700  1
  F  F40  1  0.57831700  0.57785300  0.05439100  1
  F  F41  1  0.23984200  0.90408000  0.06342200  1
  F  F42  1  0.75355200  0.09394700  0.93168100  1
  F  F43  1  0.40181900  0.43097100  0.95203200  1
  F  F44  1  0.10285000  0.74406100  0.93172200  1
  F  F45  1  0.09394700  0.75355200  0.43168100  1
  F  F46  1  0.43097100  0.40181900  0.45203200  1
  F  F47  1  0.74406100  0.10285000  0.43172200  1
  F  F48  1  0.59300500  0.23498700  0.68631000  1
  F  F49  1  0.24940300  0.57174800  0.69447600  1
  F  F50  1  0.23498700  0.59300500  0.18631000  1
  F  F51  1  0.57174800  0.24940300  0.19447600  1
  F  F52  1  0.11174800  0.42689300  0.88417800  1
  F  F53  1  0.41142200  0.08971800  0.88804100  1
  F  F54  1  0.42689300  0.11174800  0.38417800  1
  F  F55  1  0.28440700  0.21380900  0.65028100  1
  F  F56  1  0.08971800  0.41142200  0.38804100  1
  F  F57  1  0.21380900  0.28440700  0.15028100  1
  F  F58  1  0.06722600  0.07796100  0.81887800  1
  F  F59  1  0.07796100  0.06722600  0.31887800  1
