# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21986900
_cell_length_b   6.21986900
_cell_length_c   8.73434300
_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   337.90352204
_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  0.25686600  0.50941000  0.24904900  1
  Li  Li1  1  0.49059000  0.25686600  0.99904900  1
  Li  Li2  1  0.50941000  0.74313400  0.49904900  1
  Li  Li3  1  0.74313400  0.49059000  0.74904900  1
  Fe  Fe4  1  0.00211000  0.24792800  0.98811300  1
  Fe  Fe5  1  0.99789000  0.75207200  0.48811300  1
  Fe  Fe6  1  0.21925500  0.26127900  0.64605600  1
  Fe  Fe7  1  0.26127900  0.78074500  0.89605600  1
  Fe  Fe8  1  0.24792800  0.99789000  0.23811300  1
  Fe  Fe9  1  0.75207200  0.00211000  0.73811300  1
  Fe  Fe10  1  0.73872100  0.21925500  0.39605600  1
  Fe  Fe11  1  0.78074500  0.73872100  0.14605600  1
  O  O12  1  0.04470700  0.75213300  0.25360300  1
  O  O13  1  0.24786700  0.04470700  0.00360300  1
  O  O14  1  0.75213300  0.95529300  0.50360300  1
  O  O15  1  0.95529300  0.24786700  0.75360300  1
  F  F16  1  0.99992400  0.26467400  0.24259900  1
  F  F17  1  0.26467400  0.00007600  0.49259900  1
  F  F18  1  0.25570600  0.52101400  0.49411200  1
  F  F19  1  0.25802900  0.49318300  0.00146900  1
  F  F20  1  0.50681700  0.25802900  0.75146900  1
  F  F21  1  0.52101400  0.74429400  0.74411200  1
  F  F22  1  0.47898600  0.25570600  0.24411200  1
  F  F23  1  0.49318300  0.74197100  0.25146900  1
  F  F24  1  0.74197100  0.50681700  0.50146900  1
  F  F25  1  0.74429400  0.47898600  0.99411200  1
  F  F26  1  0.73532600  0.99992400  0.99259900  1
  F  F27  1  0.00007600  0.73532600  0.74259900  1
