# generated using pymatgen
data_LiFe2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75622000
_cell_length_b   4.75622000
_cell_length_c   9.41684100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F6
_chemical_formula_sum   'Li2 Fe4 F12'
_cell_volume   213.02428052
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.66587500  1
  Li  Li1  1  0.50000000  0.50000000  0.16587500  1
  Fe  Fe2  1  0.00000000  0.00000000  0.33518400  1
  Fe  Fe3  1  0.50000000  0.50000000  0.83518400  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00157700  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50157700  1
  F  F6  1  0.69527600  0.69527600  0.65667000  1
  F  F7  1  0.80472400  0.19527600  0.15667000  1
  F  F8  1  0.19527600  0.80472400  0.15667000  1
  F  F9  1  0.30472400  0.30472400  0.65667000  1
  F  F10  1  0.29084500  0.29084500  0.00295100  1
  F  F11  1  0.20915500  0.79084500  0.50295100  1
  F  F12  1  0.79084500  0.20915500  0.50295100  1
  F  F13  1  0.70915500  0.70915500  0.00295100  1
  F  F14  1  0.30625800  0.30625800  0.34261100  1
  F  F15  1  0.19374200  0.80625800  0.84261100  1
  F  F16  1  0.80625800  0.19374200  0.84261100  1
  F  F17  1  0.69374200  0.69374200  0.34261100  1
