# generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14642996
_cell_length_b   5.53072536
_cell_length_c   9.24271030
_cell_angle_alpha   85.87173538
_cell_angle_beta   72.06445186
_cell_angle_gamma   117.19117244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF2
_chemical_formula_sum   'Li4 Fe4 O4 F8'
_cell_volume   215.48664630
_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  0.35140900  0.41343600  0.67399800  1
  Li  Li1  1  0.64921800  0.61078900  0.32548200  1
  Li  Li2  1  0.66871700  0.13866200  0.79034100  1
  Li  Li3  1  0.88011700  0.12731100  0.42896100  1
  Fe  Fe4  1  0.15112500  0.87436200  0.58349300  1
  Fe  Fe5  1  0.13389300  0.32993200  0.09630600  1
  Fe  Fe6  1  0.37549300  0.89443900  0.16365700  1
  Fe  Fe7  1  0.83889800  0.60096700  0.92927800  1
  O  O8  1  0.04195900  0.55176500  0.72604700  1
  O  O9  1  0.06724100  0.01006900  0.21977400  1
  O  O10  1  0.53386800  0.63202400  0.10631200  1
  O  O11  1  0.76472400  0.24137500  0.04325800  1
  F  F12  1  0.41965700  0.85887100  0.37643000  1
  F  F13  1  0.25043600  0.26290200  0.48140500  1
  F  F14  1  0.24474600  0.80292900  0.96370400  1
  F  F15  1  0.76745200  0.73120100  0.53649800  1
  F  F16  1  0.42485000  0.36835100  0.88076400  1
  F  F17  1  0.55170600  0.11722700  0.61277600  1
  F  F18  1  0.93314000  0.96459000  0.78228200  1
  F  F19  1  0.95135000  0.46879400  0.27923400  1
