# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01973000
_cell_length_b   6.16410200
_cell_length_c   10.77414400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   333.37493986
_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  0.44691300  0.75000000  0.59224800  1
  Li  Li1  1  0.05308700  0.75000000  0.09224800  1
  Li  Li2  1  0.94691300  0.25000000  0.90775200  1
  Li  Li3  1  0.55308700  0.25000000  0.40775200  1
  Fe  Fe4  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.54440300  0.25000000  0.71129100  1
  Fe  Fe7  1  0.95559700  0.25000000  0.21129100  1
  Fe  Fe8  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe10  1  0.04440300  0.75000000  0.78870900  1
  Fe  Fe11  1  0.45559700  0.75000000  0.28870900  1
  O  O12  1  0.23121000  0.75000000  0.44036800  1
  O  O13  1  0.26879000  0.75000000  0.94036800  1
  O  O14  1  0.73121000  0.25000000  0.05963200  1
  O  O15  1  0.76879000  0.25000000  0.55963200  1
  F  F16  1  0.26775000  0.98958100  0.66838100  1
  F  F17  1  0.26775000  0.51041900  0.66838100  1
  F  F18  1  0.31231200  0.25000000  0.88160500  1
  F  F19  1  0.18768800  0.25000000  0.38160500  1
  F  F20  1  0.23225000  0.98958100  0.16838100  1
  F  F21  1  0.23225000  0.51041900  0.16838100  1
  F  F22  1  0.76775000  0.48958100  0.83161900  1
  F  F23  1  0.76775000  0.01041900  0.83161900  1
  F  F24  1  0.81231200  0.75000000  0.61839500  1
  F  F25  1  0.68768800  0.75000000  0.11839500  1
  F  F26  1  0.73225000  0.48958100  0.33161900  1
  F  F27  1  0.73225000  0.01041900  0.33161900  1
