# generated using pymatgen
data_LiFe8(O3F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04261918
_cell_length_b   6.33317714
_cell_length_c   8.18191233
_cell_angle_alpha   89.99939234
_cell_angle_beta   112.59320268
_cell_angle_gamma   90.00347311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O3F)4
_chemical_formula_sum   'Li1 Fe8 O12 F4'
_cell_volume   289.08378109
_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  0.32114300  0.00015800  0.71130200  1
  Fe  Fe1  1  0.49867300  0.99996900  0.05218600  1
  Fe  Fe2  1  0.97661400  0.00000500  0.98734100  1
  Fe  Fe3  1  0.78118500  0.49999600  0.06594700  1
  Fe  Fe4  1  0.23303100  0.49998800  0.97758400  1
  Fe  Fe5  1  0.51800600  0.99997500  0.49504000  1
  Fe  Fe6  1  0.96782700  0.99999600  0.41803900  1
  Fe  Fe7  1  0.74710100  0.49998000  0.48571900  1
  Fe  Fe8  1  0.25857000  0.50001900  0.49306800  1
  O  O9  1  0.83740200  0.00000200  0.16662300  1
  O  O10  1  0.50604300  0.30595700  0.01554300  1
  O  O11  1  0.99268100  0.30810900  0.00425700  1
  O  O12  1  0.50611200  0.69402000  0.01562400  1
  O  O13  1  0.75596800  0.19437800  0.47999400  1
  O  O14  1  0.25409200  0.18928100  0.50500200  1
  O  O15  1  0.99269300  0.69186000  0.00418800  1
  O  O16  1  0.18930400  0.99998000  0.87265800  1
  O  O17  1  0.92236900  0.50000300  0.32669300  1
  O  O18  1  0.58250300  0.50002500  0.63902700  1
  O  O19  1  0.75591200  0.80562000  0.47993300  1
  O  O20  1  0.25406600  0.81072900  0.50506900  1
  F  F21  1  0.34225100  0.99998300  0.22272300  1
  F  F22  1  0.65122300  0.99998500  0.78366600  1
  F  F23  1  0.39373400  0.50000000  0.29386300  1
  F  F24  1  0.10524800  0.49998300  0.69891000  1
