# generated using pymatgen
data_LiFe7O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56217266
_cell_length_b   3.56217266
_cell_length_c   17.72954200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.37082680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe7O7F
_chemical_formula_sum   'Li1 Fe7 O7 F1'
_cell_volume   197.95028964
_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  0.67060100  0.32939900  0.50000000  1
  Fe  Fe1  1  0.67422800  0.32577200  0.00000000  1
  Fe  Fe2  1  0.67115500  0.32884500  0.74861100  1
  Fe  Fe3  1  0.67115500  0.32884500  0.25138900  1
  Fe  Fe4  1  0.34304100  0.65695900  0.87532000  1
  Fe  Fe5  1  0.33434900  0.66565100  0.37564200  1
  Fe  Fe6  1  0.34304100  0.65695900  0.12468000  1
  Fe  Fe7  1  0.33434900  0.66565100  0.62435800  1
  O  O8  1  0.66487400  0.33512600  0.62065400  1
  O  O9  1  0.67086800  0.32913200  0.87534100  1
  O  O10  1  0.66487400  0.33512600  0.37934600  1
  O  O11  1  0.67086800  0.32913200  0.12465900  1
  O  O12  1  0.32026600  0.67973400  0.00000000  1
  O  O13  1  0.31688700  0.68311300  0.74947300  1
  O  O14  1  0.31688700  0.68311300  0.25052700  1
  F  F15  1  0.32979100  0.67020900  0.50000000  1
