# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56921225
_cell_length_b   5.56921225
_cell_length_c   10.39088200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.22371201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li2 Fe4 F10'
_cell_volume   214.71389880
_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  0.81969900  0.18030100  0.25000000  1
  Li  Li1  1  0.18030100  0.81969900  0.75000000  1
  Fe  Fe2  1  0.86383400  0.13616600  0.56929600  1
  Fe  Fe3  1  0.86383400  0.13616600  0.93070400  1
  Fe  Fe4  1  0.13616600  0.86383400  0.06929600  1
  Fe  Fe5  1  0.13616600  0.86383400  0.43070400  1
  F  F6  1  0.94453000  0.05547000  0.11492300  1
  F  F7  1  0.68135900  0.31864100  0.06513800  1
  F  F8  1  0.94453000  0.05547000  0.38507700  1
  F  F9  1  0.68135900  0.31864100  0.43486200  1
  F  F10  1  0.76745100  0.23254900  0.75000000  1
  F  F11  1  0.23254900  0.76745100  0.25000000  1
  F  F12  1  0.05547000  0.94453000  0.61492300  1
  F  F13  1  0.05547000  0.94453000  0.88507700  1
  F  F14  1  0.31864100  0.68135900  0.56513800  1
  F  F15  1  0.31864100  0.68135900  0.93486200  1
