# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11225700
_cell_length_b   4.68554500
_cell_length_c   17.70227542
_cell_angle_alpha   75.38891963
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li4 Fe8 O4 F20'
_cell_volume   410.32204983
_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  0.50422000  0.60954600  0.38317800  1
  Li  Li1  1  0.01445300  0.38128100  0.61371500  1
  Li  Li2  1  0.49578000  0.60954600  0.88317800  1
  Li  Li3  1  0.98554700  0.38128100  0.11371500  1
  Fe  Fe4  1  0.02649400  0.69505700  0.28109200  1
  Fe  Fe5  1  0.50670100  0.96353800  0.06093500  1
  Fe  Fe6  1  0.50160100  0.27707400  0.71802600  1
  Fe  Fe7  1  0.00064500  0.04829100  0.94858400  1
  Fe  Fe8  1  0.49329900  0.96353800  0.56093500  1
  Fe  Fe9  1  0.97350600  0.69505700  0.78109200  1
  Fe  Fe10  1  0.49839900  0.27707400  0.21802600  1
  Fe  Fe11  1  0.99935500  0.04829100  0.44858400  1
  O  O12  1  0.32711000  0.47059200  0.28831500  1
  O  O13  1  0.35544200  0.14502000  0.63124100  1
  O  O14  1  0.67289000  0.47059200  0.78831500  1
  O  O15  1  0.64455800  0.14502000  0.13124100  1
  F  F16  1  0.83950100  0.05761500  0.70733500  1
  F  F17  1  0.84705400  0.38934400  0.37385100  1
  F  F18  1  0.82769900  0.74631600  0.03513100  1
  F  F19  1  0.32263000  0.82043500  0.96239900  1
  F  F20  1  0.32220600  0.25838800  0.46262100  1
  F  F21  1  0.83328900  0.19284600  0.53444200  1
  F  F22  1  0.84203400  0.85873800  0.87386900  1
  F  F23  1  0.32907400  0.61214700  0.12477700  1
  F  F24  1  0.82649100  0.53400200  0.20652200  1
  F  F25  1  0.31097900  0.93977000  0.79396400  1
  F  F26  1  0.16049900  0.05761500  0.20733500  1
  F  F27  1  0.15294600  0.38934400  0.87385100  1
  F  F28  1  0.67737000  0.82043500  0.46239900  1
  F  F29  1  0.17230100  0.74631600  0.53513100  1
  F  F30  1  0.16671100  0.19284600  0.03444200  1
  F  F31  1  0.67779400  0.25838800  0.96262100  1
  F  F32  1  0.67092600  0.61214700  0.62477700  1
  F  F33  1  0.15796600  0.85873800  0.37386900  1
  F  F34  1  0.68902100  0.93977000  0.29396400  1
  F  F35  1  0.17350900  0.53400200  0.70652200  1
