# generated using pymatgen
data_Li4FeOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21054764
_cell_length_b   8.87636004
_cell_length_c   10.59441346
_cell_angle_alpha   114.77004345
_cell_angle_beta   84.36016863
_cell_angle_gamma   89.98972457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeOF5
_chemical_formula_sum   'Li16 Fe4 O4 F20'
_cell_volume   442.29982431
_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  0.90071200  0.68809300  0.73763600  1
  Li  Li1  1  0.40076700  0.18802700  0.73756500  1
  Li  Li2  1  0.65073300  0.79959600  0.23763500  1
  Li  Li3  1  0.15072600  0.29963600  0.23765800  1
  Li  Li4  1  0.60766000  0.45128900  0.24803400  1
  Li  Li5  1  0.10763600  0.95129600  0.24808000  1
  Li  Li6  1  0.85764400  0.04680800  0.74801900  1
  Li  Li7  1  0.35763300  0.54684300  0.74803300  1
  Li  Li8  1  0.76804100  0.42391500  0.50479000  1
  Li  Li9  1  0.26817300  0.92391200  0.50477800  1
  Li  Li10  1  0.51814100  0.83084800  0.00479000  1
  Li  Li11  1  0.01808400  0.33082600  0.00478400  1
  Li  Li12  1  0.87681200  0.38303500  0.75441400  1
  Li  Li13  1  0.37685600  0.88303000  0.75439500  1
  Li  Li14  1  0.62691300  0.12146100  0.25441400  1
  Li  Li15  1  0.12697900  0.62145400  0.25435900  1
  Fe  Fe16  1  0.23229900  0.27118000  0.50933000  1
  Fe  Fe17  1  0.98263600  0.98810500  0.00931200  1
  Fe  Fe18  1  0.73256200  0.77123400  0.50941000  1
  Fe  Fe19  1  0.48252500  0.48809000  0.00934400  1
  O  O20  1  0.06008300  0.46423000  0.62944700  1
  O  O21  1  0.56018900  0.96414700  0.62938900  1
  O  O22  1  0.81009600  0.91515200  0.12942000  1
  O  O23  1  0.31001500  0.41509900  0.12940800  1
  F  F24  1  0.21388300  0.41436900  0.87213000  1
  F  F25  1  0.71395200  0.91439300  0.87217700  1
  F  F26  1  0.96388300  0.20792700  0.37218100  1
  F  F27  1  0.46396600  0.70789200  0.37214900  1
  F  F28  1  0.84483300  0.22779700  0.12579100  1
  F  F29  1  0.34478900  0.72776000  0.12578100  1
  F  F30  1  0.09475000  0.14790600  0.62572400  1
  F  F31  1  0.59477000  0.64790500  0.62571400  1
  F  F32  1  0.64091400  0.58987900  0.87484100  1
  F  F33  1  0.14097700  0.08990500  0.87484000  1
  F  F34  1  0.39096400  0.03501000  0.37484200  1
  F  F35  1  0.89105100  0.53498400  0.37481600  1
  F  F36  1  0.44589000  0.33535900  0.36693700  1
  F  F37  1  0.94596700  0.83532400  0.36691300  1
  F  F38  1  0.69579200  0.28158500  0.86679600  1
  F  F39  1  0.19586900  0.78161700  0.86683400  1
  F  F40  1  0.54292500  0.31949900  0.61744700  1
  F  F41  1  0.04302800  0.81949300  0.61745400  1
  F  F42  1  0.29299000  0.04773200  0.11743800  1
  F  F43  1  0.79288400  0.54766900  0.11736800  1
