# generated using pymatgen
data_Li5Fe3(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15058727
_cell_length_b   5.56364944
_cell_length_c   9.13629312
_cell_angle_alpha   85.31293698
_cell_angle_beta   73.76390407
_cell_angle_gamma   117.43009660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe3(OF5)2
_chemical_formula_sum   'Li5 Fe3 O2 F10'
_cell_volume   216.19343784
_cell_formula_units_Z   1
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  0.13549200  0.85577700  0.58147300  1
  Li  Li1  1  0.42126100  0.91950500  0.16689300  1
  Li  Li2  1  0.33656100  0.37781500  0.67284600  1
  Li  Li3  1  0.62006500  0.59110600  0.30810400  1
  Li  Li4  1  0.67409500  0.11967000  0.82702400  1
  Fe  Fe5  1  0.15788300  0.39090500  0.07356200  1
  Fe  Fe6  1  0.82760500  0.09384900  0.43643500  1
  Fe  Fe7  1  0.83557400  0.61152500  0.93167300  1
  O  O8  1  0.53963000  0.61736200  0.10839100  1
  O  O9  1  0.79479500  0.26213800  0.02567100  1
  F  F10  1  0.05215700  0.53598700  0.72425300  1
  F  F11  1  0.04929900  0.03611100  0.22623400  1
  F  F12  1  0.45596500  0.88717900  0.38143400  1
  F  F13  1  0.22269700  0.26915100  0.47021900  1
  F  F14  1  0.23825300  0.79617200  0.97283300  1
  F  F15  1  0.75016500  0.73018600  0.52710100  1
  F  F16  1  0.43905100  0.37832200  0.87187000  1
  F  F17  1  0.57697800  0.13044800  0.61984000  1
  F  F18  1  0.92734000  0.44100600  0.29470500  1
  F  F19  1  0.94513200  0.95578700  0.77944000  1
