# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12475304
_cell_length_b   6.17325419
_cell_length_c   10.36117311
_cell_angle_alpha   90.32627474
_cell_angle_beta   90.19713358
_cell_angle_gamma   119.52535316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   340.86423108
_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  0.33176300  0.66301400  0.01249600  1
  Li  Li1  1  0.33111100  0.66221800  0.51251900  1
  Li  Li2  1  0.66885400  0.33778200  0.48747200  1
  Li  Li3  1  0.66826300  0.33699900  0.98749500  1
  Fe  Fe4  1  0.99999800  0.99997100  0.50000900  1
  Fe  Fe5  1  0.49982600  0.99941800  0.24982000  1
  Fe  Fe6  1  0.50018700  0.00059400  0.75021500  1
  Fe  Fe7  1  0.00000000  0.99998500  0.00001500  1
  Fe  Fe8  1  0.99953600  0.50035400  0.25022800  1
  Fe  Fe9  1  0.00053900  0.49969400  0.74974600  1
  Fe  Fe10  1  0.50065600  0.50053700  0.25016200  1
  Fe  Fe11  1  0.49929700  0.49942500  0.74981700  1
  O  O12  1  0.32825500  0.65731100  0.33282100  1
  O  O13  1  0.32930700  0.65861000  0.83277100  1
  O  O14  1  0.67071000  0.34139200  0.16722400  1
  O  O15  1  0.67177500  0.34268100  0.66717500  1
  F  F16  1  0.82688800  0.65392500  0.39436200  1
  F  F17  1  0.83095700  0.65913800  0.89672700  1
  F  F18  1  0.16906600  0.34088000  0.10327100  1
  F  F19  1  0.17309900  0.34606900  0.60563300  1
  F  F20  1  0.18044800  0.83540300  0.10921800  1
  F  F21  1  0.18231100  0.83951900  0.60885900  1
  F  F22  1  0.65120200  0.83552200  0.11078400  1
  F  F23  1  0.65639300  0.83960800  0.60928900  1
  F  F24  1  0.81764100  0.16049000  0.39114300  1
  F  F25  1  0.81957600  0.16460400  0.89079200  1
  F  F26  1  0.34353400  0.16037500  0.39071400  1
  F  F27  1  0.34880900  0.16448000  0.88922200  1
