# generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14643000
_cell_length_b   5.53072605
_cell_length_c   8.93491499
_cell_angle_alpha   106.33940922
_cell_angle_beta   88.54316333
_cell_angle_gamma   117.19116670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF2
_chemical_formula_sum   'Li4 Fe4 O4 F8'
_cell_volume   215.48667751
_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  0.02540700  0.73943900  0.67399800  1
  Li  Li1  1  0.97470000  0.28530700  0.32548200  1
  Li  Li2  1  0.45905800  0.34832100  0.79034100  1
  Li  Li3  1  0.30907800  0.69835000  0.42896100  1
  Fe  Fe4  1  0.73461900  0.29086800  0.58349300  1
  Fe  Fe5  1  0.23019800  0.23362700  0.09630600  1
  Fe  Fe6  1  0.53915000  0.73078200  0.16365700  1
  Fe  Fe7  1  0.76817600  0.67168900  0.92927800  1
  O  O8  1  0.76800600  0.82571800  0.72604700  1
  O  O9  1  0.28701600  0.79029500  0.21977400  1
  O  O10  1  0.64018000  0.52571200  0.10631200  1
  O  O11  1  0.80798200  0.19811700  0.04325800  1
  F  F12  1  0.79608700  0.48244100  0.37643000  1
  F  F13  1  0.73184100  0.78149700  0.48140500  1
  F  F14  1  0.20845000  0.83922500  0.96370400  1
  F  F15  1  0.30394900  0.19470300  0.53649800  1
  F  F16  1  0.30561400  0.48758800  0.88076400  1
  F  F17  1  0.16448200  0.50445100  0.61277600  1
  F  F18  1  0.71542200  0.18230800  0.78228200  1
  F  F19  1  0.23058400  0.18955900  0.27923400  1
