# generated using pymatgen
data_LiFe5(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66871073
_cell_length_b   4.66871073
_cell_length_c   8.88948265
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.81646282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe5(OF2)4
_chemical_formula_sum   'Li1 Fe5 O4 F8'
_cell_volume   193.33311596
_cell_formula_units_Z   1
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  0.00000000  1
  Fe  Fe1  1  -0.00000000  -0.00000000  0.32536750  1
  Fe  Fe2  1  -0.00000000  -0.00000000  0.67463250  1
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.50000000  0.50000000  0.81923947  1
  Fe  Fe5  1  0.50000000  0.50000000  0.18076053  1
  O  O6  1  0.30087206  0.30087206  0.34428377  1
  O  O7  1  0.30087206  0.30087206  0.65571623  1
  O  O8  1  0.69912794  0.69912794  0.34428377  1
  O  O9  1  0.69912794  0.69912794  0.65571623  1
  F  F10  1  0.19124653  0.80875347  0.50000000  1
  F  F11  1  0.20015979  0.79984021  0.83402016  1
  F  F12  1  0.20015979  0.79984021  0.16597984  1
  F  F13  1  0.30608756  0.30608756  0.00000000  1
  F  F14  1  0.69391244  0.69391244  0.00000000  1
  F  F15  1  0.79984021  0.20015979  0.16597984  1
  F  F16  1  0.79984021  0.20015979  0.83402016  1
  F  F17  1  0.80875347  0.19124653  0.50000000  1
