# generated using pymatgen
data_Li2FeOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96411500
_cell_length_b   5.96424900
_cell_length_c   8.58639000
_cell_angle_alpha   90.00007179
_cell_angle_beta   89.99975500
_cell_angle_gamma   89.99676256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeOF3
_chemical_formula_sum   'Li8 Fe4 O4 F12'
_cell_volume   305.43048764
_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  0.23460900  0.25386800  0.37280600  1
  Li  Li1  1  0.25384800  0.76537800  0.12279400  1
  Li  Li2  1  0.74615400  0.23462500  0.62279500  1
  Li  Li3  1  0.76539500  0.74613200  0.87280400  1
  Li  Li4  1  0.25870000  0.49879400  0.74501900  1
  Li  Li5  1  0.50128800  0.25871800  0.99502900  1
  Li  Li6  1  0.49871000  0.74128300  0.49503000  1
  Li  Li7  1  0.74130100  0.50120100  0.24502100  1
  Fe  Fe8  1  0.24992300  0.98225700  0.76852800  1
  Fe  Fe9  1  0.75007800  0.01774100  0.26851800  1
  Fe  Fe10  1  0.01793500  0.24980700  0.01855400  1
  Fe  Fe11  1  0.98206500  0.75019400  0.51855900  1
  O  O12  1  0.02751400  0.76042300  0.73473400  1
  O  O13  1  0.23968100  0.02751700  0.98469500  1
  O  O14  1  0.76031400  0.97248300  0.48469800  1
  O  O15  1  0.97248300  0.23957400  0.23473700  1
  F  F16  1  0.01443700  0.24937600  0.76136700  1
  F  F17  1  0.24933700  0.98561200  0.51136500  1
  F  F18  1  0.75066100  0.01438700  0.01136000  1
  F  F19  1  0.98556600  0.75062300  0.26136800  1
  F  F20  1  0.24681400  0.49186000  0.99521300  1
  F  F21  1  0.49186900  0.75323200  0.74519600  1
  F  F22  1  0.50813500  0.24676600  0.24519700  1
  F  F23  1  0.75318500  0.50814600  0.49521200  1
  F  F24  1  0.23772600  0.52613600  0.49735600  1
  F  F25  1  0.47392200  0.23781800  0.74734400  1
  F  F26  1  0.52607800  0.76217500  0.24734400  1
  F  F27  1  0.76227200  0.47387300  0.99735600  1
