# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88407300
_cell_length_b   8.85506400
_cell_length_c   8.85763100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li4 Fe8 F20'
_cell_volume   461.51661494
_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  0.00000000  0.23415600  0.22921300  1
  Li  Li1  1  0.50000000  0.73415600  0.27078700  1
  Li  Li2  1  0.50000000  0.26584400  0.72921300  1
  Li  Li3  1  0.00000000  0.76584400  0.77078700  1
  Fe  Fe4  1  0.71300400  0.00000000  0.00000000  1
  Fe  Fe5  1  0.28699600  0.00000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.63291700  0.12862600  1
  Fe  Fe7  1  0.50000000  0.13291700  0.37137400  1
  Fe  Fe8  1  0.78699600  0.50000000  0.50000000  1
  Fe  Fe9  1  0.21300400  0.50000000  0.50000000  1
  Fe  Fe10  1  0.50000000  0.86708300  0.62862600  1
  Fe  Fe11  1  0.00000000  0.36708300  0.87137400  1
  F  F12  1  0.00000000  0.86336700  0.07307700  1
  F  F13  1  0.50000000  0.83123800  0.08056100  1
  F  F14  1  0.00000000  0.39423100  0.09619800  1
  F  F15  1  0.74112800  0.11169600  0.20799500  1
  F  F16  1  0.25887200  0.11169600  0.20799500  1
  F  F17  1  0.75887200  0.61169600  0.29200500  1
  F  F18  1  0.24112800  0.61169600  0.29200500  1
  F  F19  1  0.50000000  0.89423100  0.40380200  1
  F  F20  1  0.00000000  0.33123800  0.41943900  1
  F  F21  1  0.50000000  0.36336700  0.42692300  1
  F  F22  1  0.50000000  0.63663300  0.57307700  1
  F  F23  1  0.00000000  0.66876200  0.58056100  1
  F  F24  1  0.50000000  0.10576900  0.59619800  1
  F  F25  1  0.75887200  0.38830400  0.70799500  1
  F  F26  1  0.24112800  0.38830400  0.70799500  1
  F  F27  1  0.74112800  0.88830400  0.79200500  1
  F  F28  1  0.25887200  0.88830400  0.79200500  1
  F  F29  1  0.00000000  0.60576900  0.90380200  1
  F  F30  1  0.50000000  0.16876200  0.91943900  1
  F  F31  1  0.00000000  0.13663300  0.92692300  1
