# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72774705
_cell_length_b   4.72774705
_cell_length_c   18.44349700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00411334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li4 Fe8 O4 F20'
_cell_volume   412.24152288
_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  0.00963600  0.98535200  0.75000000  1
  Li  Li1  1  0.98535200  0.00963600  0.25000000  1
  Li  Li2  1  0.48797400  0.48797400  0.50000000  1
  Li  Li3  1  0.48797400  0.48797400  0.00000000  1
  Fe  Fe4  1  0.01540800  0.00830300  0.42036500  1
  Fe  Fe5  1  0.00830300  0.01540800  0.57963500  1
  Fe  Fe6  1  0.00830300  0.01540800  0.92036500  1
  Fe  Fe7  1  0.01540800  0.00830300  0.07963500  1
  Fe  Fe8  1  0.51493700  0.49129900  0.17035600  1
  Fe  Fe9  1  0.49129900  0.51493700  0.67035600  1
  Fe  Fe10  1  0.51493700  0.49129900  0.32964400  1
  Fe  Fe11  1  0.49129900  0.51493700  0.82964400  1
  O  O12  1  0.18630500  0.18630500  0.50000000  1
  O  O13  1  0.18630500  0.18630500  0.00000000  1
  O  O14  1  0.68853800  0.31599400  0.25000000  1
  O  O15  1  0.31599400  0.68853800  0.75000000  1
  F  F16  1  0.19770800  0.20279000  0.33611200  1
  F  F17  1  0.20279000  0.19770800  0.66388800  1
  F  F18  1  0.20279000  0.19770800  0.83611200  1
  F  F19  1  0.19770800  0.20279000  0.16388800  1
  F  F20  1  0.69491600  0.29999500  0.58906500  1
  F  F21  1  0.69759800  0.29703900  0.08610500  1
  F  F22  1  0.69491600  0.29999500  0.91093500  1
  F  F23  1  0.69759800  0.29703900  0.41389500  1
  F  F24  1  0.70246600  0.30090300  0.75000000  1
  F  F25  1  0.30090300  0.70246600  0.25000000  1
  F  F26  1  0.29703900  0.69759800  0.58610500  1
  F  F27  1  0.29999500  0.69491600  0.41093500  1
  F  F28  1  0.29703900  0.69759800  0.91389500  1
  F  F29  1  0.29999500  0.69491600  0.08906500  1
  F  F30  1  0.80516400  0.79985800  0.66096300  1
  F  F31  1  0.79985800  0.80516400  0.33903700  1
  F  F32  1  0.80516400  0.79985800  0.83903700  1
  F  F33  1  0.79985800  0.80516400  0.16096300  1
  F  F34  1  0.79925900  0.79925900  0.50000000  1
  F  F35  1  0.79925900  0.79925900  0.00000000  1
