# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19926900
_cell_length_b   6.39048800
_cell_length_c   8.90001100
_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   352.58598774
_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  0.98237800  0.55609400  0.65368400  1
  Li  Li1  1  0.51762200  0.55609400  0.65368400  1
  Li  Li2  1  0.51762200  0.94390600  0.15368400  1
  Li  Li3  1  0.98237800  0.94390600  0.15368400  1
  Li  Li4  1  0.48237800  0.05609400  0.84631600  1
  Li  Li5  1  0.01762200  0.05609400  0.84631600  1
  Li  Li6  1  0.01762200  0.44390600  0.34631600  1
  Li  Li7  1  0.48237800  0.44390600  0.34631600  1
  Fe  Fe8  1  0.75000000  0.41953000  0.00117300  1
  Fe  Fe9  1  0.75000000  0.08047000  0.50117300  1
  Fe  Fe10  1  0.25000000  0.91953000  0.49882700  1
  Fe  Fe11  1  0.25000000  0.58047000  0.99882700  1
  F  F12  1  0.75000000  0.41590200  0.50992300  1
  F  F13  1  0.25000000  0.44091400  0.19660000  1
  F  F14  1  0.04442200  0.33213200  0.93914100  1
  F  F15  1  0.45557800  0.33213200  0.93914100  1
  F  F16  1  0.75000000  0.38056600  0.21663600  1
  F  F17  1  0.75000000  0.11943400  0.71663600  1
  F  F18  1  0.45557800  0.16786800  0.43914100  1
  F  F19  1  0.04442200  0.16786800  0.43914100  1
  F  F20  1  0.25000000  0.05908600  0.69660000  1
  F  F21  1  0.75000000  0.08409800  0.00992300  1
  F  F22  1  0.25000000  0.91590200  0.99007700  1
  F  F23  1  0.75000000  0.94091400  0.30340000  1
  F  F24  1  0.54442200  0.83213200  0.56085900  1
  F  F25  1  0.95557800  0.83213200  0.56085900  1
  F  F26  1  0.25000000  0.88056600  0.28336400  1
  F  F27  1  0.25000000  0.61943400  0.78336400  1
  F  F28  1  0.95557800  0.66786800  0.06085900  1
  F  F29  1  0.54442200  0.66786800  0.06085900  1
  F  F30  1  0.75000000  0.55908600  0.80340000  1
  F  F31  1  0.25000000  0.58409800  0.49007700  1
