# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12109300
_cell_length_b   8.12650200
_cell_length_c   9.81487600
_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   408.46149870
_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  0.52572900  0.36226600  0.06655000  1
  Li  Li1  1  0.44529000  0.38462200  0.73551100  1
  Li  Li2  1  0.55471000  0.88462200  0.76448900  1
  Li  Li3  1  0.47427100  0.86226600  0.43345000  1
  Li  Li4  1  0.02572900  0.13773400  0.93345000  1
  Li  Li5  1  0.94529000  0.11537800  0.26448900  1
  Li  Li6  1  0.05471000  0.61537800  0.23551100  1
  Li  Li7  1  0.97427100  0.63773400  0.56655000  1
  Fe  Fe8  1  0.45806100  0.96588600  0.11789800  1
  Fe  Fe9  1  0.54193900  0.46588600  0.38210200  1
  Fe  Fe10  1  0.95806100  0.53411400  0.88210200  1
  Fe  Fe11  1  0.04193900  0.03411400  0.61789800  1
  F  F12  1  0.72853600  0.92287800  0.56391100  1
  F  F13  1  0.74236900  0.66236300  0.38066100  1
  F  F14  1  0.71306000  0.67066900  0.79069400  1
  F  F15  1  0.63824800  0.40752500  0.56208900  1
  F  F16  1  0.63436300  0.97762700  0.29031800  1
  F  F17  1  0.36563700  0.47762700  0.20968200  1
  F  F18  1  0.36175200  0.90752500  0.93791100  1
  F  F19  1  0.28694000  0.17066900  0.70930600  1
  F  F20  1  0.25763100  0.16236300  0.11933900  1
  F  F21  1  0.27146400  0.42287800  0.93608900  1
  F  F22  1  0.22853600  0.57712200  0.43608900  1
  F  F23  1  0.24236900  0.83763700  0.61933900  1
  F  F24  1  0.21306000  0.82933100  0.20930600  1
  F  F25  1  0.13824800  0.09247500  0.43791100  1
  F  F26  1  0.13436300  0.52237300  0.70968200  1
  F  F27  1  0.86563700  0.02237300  0.79031800  1
  F  F28  1  0.86175200  0.59247500  0.06208900  1
  F  F29  1  0.78694000  0.32933100  0.29069400  1
  F  F30  1  0.75763100  0.33763700  0.88066100  1
  F  F31  1  0.77146400  0.07712200  0.06391100  1
