# generated using pymatgen
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70507052
_cell_length_b   4.73442516
_cell_length_c   11.89464731
_cell_angle_alpha   89.97779945
_cell_angle_beta   90.07980943
_cell_angle_gamma   90.42372264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O7F)2
_chemical_formula_sum   'Li1 Fe8 O14 F2'
_cell_volume   264.95531357
_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  0.50232500  0.99574300  0.24941100  1
  Fe  Fe1  1  0.00028900  0.99091400  0.00780400  1
  Fe  Fe2  1  0.00196600  0.99686500  0.25274200  1
  Fe  Fe3  1  0.02711800  0.02138700  0.50208200  1
  Fe  Fe4  1  0.00065700  0.99024100  0.74765000  1
  Fe  Fe5  1  0.50013100  0.49539600  0.12420600  1
  Fe  Fe6  1  0.49509000  0.49138200  0.63372500  1
  Fe  Fe7  1  0.47047200  0.51894800  0.87785000  1
  Fe  Fe8  1  0.50009800  0.49436600  0.37452400  1
  O  O9  1  0.21574300  0.82687500  0.13606800  1
  O  O10  1  0.20941200  0.81149500  0.62396000  1
  O  O11  1  0.17667600  0.81946500  0.87818400  1
  O  O12  1  0.22306100  0.83251300  0.37132400  1
  O  O13  1  0.29243500  0.31814600  0.00273400  1
  O  O14  1  0.29247400  0.32299100  0.24777000  1
  O  O15  1  0.31671700  0.32626700  0.50202100  1
  O  O16  1  0.29119500  0.31078600  0.75837000  1
  O  O17  1  0.68952400  0.68344600  0.00252100  1
  O  O18  1  0.71187000  0.66846600  0.25013300  1
  O  O19  1  0.68750600  0.68703900  0.75596900  1
  O  O20  1  0.78549000  0.16359600  0.13420900  1
  O  O21  1  0.79406200  0.16974100  0.37111400  1
  O  O22  1  0.80730000  0.18664700  0.62621900  1
  F  F23  1  0.72242000  0.68666300  0.50070100  1
  F  F24  1  0.78596700  0.19062900  0.87982000  1
