# generated using pymatgen
data_LiFe3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70176600
_cell_length_b   5.60518800
_cell_length_c   10.38468008
_cell_angle_alpha   84.39010532
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3(OF3)2
_chemical_formula_sum   'Li2 Fe6 O4 F12'
_cell_volume   272.37000602
_cell_formula_units_Z   2
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  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.99156200  0.27028500  0.24676600  1
  Fe  Fe4  1  0.49156200  0.72971500  0.25323400  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.50843800  0.27028500  0.74676600  1
  Fe  Fe7  1  0.00843800  0.72971500  0.75323400  1
  O  O8  1  0.69442600  0.48280600  0.16879300  1
  O  O9  1  0.19442600  0.51719400  0.33120700  1
  O  O10  1  0.80557400  0.48280600  0.66879300  1
  O  O11  1  0.30557400  0.51719400  0.83120700  1
  F  F12  1  0.19870000  0.27136300  0.07799400  1
  F  F13  1  0.30190200  0.77257800  0.07555000  1
  F  F14  1  0.79315800  0.98157000  0.18328500  1
  F  F15  1  0.29315800  0.01843000  0.31671500  1
  F  F16  1  0.80190200  0.22742200  0.42445000  1
  F  F17  1  0.69870000  0.72863700  0.42200600  1
  F  F18  1  0.30130000  0.27136300  0.57799400  1
  F  F19  1  0.19809800  0.77257800  0.57555000  1
  F  F20  1  0.70684200  0.98157000  0.68328500  1
  F  F21  1  0.20684200  0.01843000  0.81671500  1
  F  F22  1  0.69809800  0.22742200  0.92445000  1
  F  F23  1  0.80130000  0.72863700  0.92200600  1
