# generated using pymatgen
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29215984
_cell_length_b   7.39712294
_cell_length_c   5.54740887
_cell_angle_alpha   109.21223088
_cell_angle_beta   108.80440241
_cell_angle_gamma   81.36156442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O7F)2
_chemical_formula_sum   'Li1 Fe8 O14 F2'
_cell_volume   267.15908110
_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  0.14002900  0.64202700  0.78311700  1
  Fe  Fe1  1  0.75017900  0.23597200  0.49596100  1
  Fe  Fe2  1  0.50014100  0.99347800  0.97420900  1
  Fe  Fe3  1  0.24825500  0.25291000  0.51460900  1
  Fe  Fe4  1  0.73972900  0.76440100  0.47427100  1
  Fe  Fe5  1  0.50895200  0.47695900  0.00476700  1
  Fe  Fe6  1  0.97596200  0.00330300  0.99421600  1
  Fe  Fe7  1  0.25256500  0.75594000  0.47346200  1
  Fe  Fe8  1  0.00100500  0.48258800  0.03526100  1
  O  O9  1  0.98044200  0.17236200  0.35073500  1
  O  O10  1  0.91245400  0.22666000  0.84732200  1
  O  O11  1  0.58275900  0.25420800  0.14683900  1
  O  O12  1  0.32632900  0.01709800  0.63492900  1
  O  O13  1  0.52240100  0.32925800  0.65711600  1
  O  O14  1  0.76453400  0.57273900  0.14997100  1
  O  O15  1  0.71654800  0.90591000  0.81420300  1
  O  O16  1  0.24097300  0.41477700  0.87585000  1
  O  O17  1  0.48618600  0.66132000  0.33404300  1
  O  O18  1  0.65496700  0.97324100  0.31283200  1
  O  O19  1  0.17170500  0.49592200  0.38928200  1
  O  O20  1  0.39595300  0.74090800  0.82576700  1
  O  O21  1  0.08082200  0.76248600  0.13470700  1
  O  O22  1  0.00136600  0.83653100  0.63457300  1
  F  F23  1  0.84907000  0.51639200  0.65753100  1
  F  F24  1  0.26148800  0.08668300  0.13918800  1
