# generated using pymatgen
data_LiFe2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65140342
_cell_length_b   4.65140342
_cell_length_c   9.06698548
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99966520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F6
_chemical_formula_sum   'Li2 Fe4 F12'
_cell_volume   196.16925193
_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  0.66770877  1
  Li  Li1  1  0.50000000  0.50000000  0.16771924  1
  Fe  Fe2  1  0.00000000  0.00000000  0.32944658  1
  Fe  Fe3  1  0.50000000  0.50000000  0.82948609  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00517952  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50534247  1
  F  F6  1  0.70641943  0.70641943  0.66744065  1
  F  F7  1  0.79355267  0.20644733  0.16733992  1
  F  F8  1  0.20644733  0.79355267  0.16733992  1
  F  F9  1  0.29358057  0.29358057  0.66744065  1
  F  F10  1  0.29832888  0.29832888  0.99934007  1
  F  F11  1  0.20166027  0.79833973  0.49934837  1
  F  F12  1  0.79833973  0.20166027  0.49934837  1
  F  F13  1  0.70167112  0.70167112  0.99934007  1
  F  F14  1  0.29842098  0.29842098  0.33556633  1
  F  F15  1  0.20158037  0.79841963  0.83562233  1
  F  F16  1  0.79841963  0.20158037  0.83562233  1
  F  F17  1  0.70157902  0.70157902  0.33556633  1
