# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46497700
_cell_length_b   7.42393000
_cell_length_c   9.59847800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF5
_chemical_formula_sum   'Li8 Fe4 F20'
_cell_volume   389.42567433
_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  0.75000000  0.93314500  0.28057400  1
  Li  Li1  1  0.25000000  0.08563600  0.43013500  1
  Li  Li2  1  0.75000000  0.41436400  0.93013500  1
  Li  Li3  1  0.25000000  0.56685500  0.78057400  1
  Li  Li4  1  0.75000000  0.43314500  0.21942600  1
  Li  Li5  1  0.25000000  0.58563600  0.06986500  1
  Li  Li6  1  0.75000000  0.91436400  0.56986500  1
  Li  Li7  1  0.25000000  0.06685500  0.71942600  1
  Fe  Fe8  1  0.25000000  0.18260000  0.04865500  1
  Fe  Fe9  1  0.75000000  0.31740000  0.54865500  1
  Fe  Fe10  1  0.25000000  0.68260000  0.45134500  1
  Fe  Fe11  1  0.75000000  0.81740000  0.95134500  1
  F  F12  1  0.00000000  0.00000000  0.00000000  1
  F  F13  1  0.50000000  0.00000000  0.00000000  1
  F  F14  1  0.25000000  0.11140500  0.23787800  1
  F  F15  1  0.49640500  0.13596900  0.58288000  1
  F  F16  1  0.00359500  0.13596900  0.58288000  1
  F  F17  1  0.75000000  0.23716400  0.35246900  1
  F  F18  1  0.25000000  0.26283600  0.85246900  1
  F  F19  1  0.99640500  0.36403100  0.08288000  1
  F  F20  1  0.50359500  0.36403100  0.08288000  1
  F  F21  1  0.75000000  0.38859500  0.73787800  1
  F  F22  1  0.00000000  0.50000000  0.50000000  1
  F  F23  1  0.50000000  0.50000000  0.50000000  1
  F  F24  1  0.25000000  0.61140500  0.26212200  1
  F  F25  1  0.49640500  0.63596900  0.91712000  1
  F  F26  1  0.00359500  0.63596900  0.91712000  1
  F  F27  1  0.75000000  0.73716400  0.14753100  1
  F  F28  1  0.25000000  0.76283600  0.64753100  1
  F  F29  1  0.99640500  0.86403100  0.41712000  1
  F  F30  1  0.50359500  0.86403100  0.41712000  1
  F  F31  1  0.75000000  0.88859500  0.76212200  1
