# generated using pymatgen
data_Li4FeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41341300
_cell_length_b   7.29206100
_cell_length_c   8.04036100
_cell_angle_alpha   90.00002997
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00003358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeO3F
_chemical_formula_sum   'Li16 Fe4 O12 F4'
_cell_volume   376.02355335
_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  0.49754300  0.50664000  0.33553800  1
  Li  Li1  1  0.49754300  0.00664200  0.83554200  1
  Li  Li2  1  0.99754300  0.49336000  0.33553800  1
  Li  Li3  1  0.99754300  0.99335900  0.83554200  1
  Li  Li4  1  0.99754300  0.49336000  0.66446200  1
  Li  Li5  1  0.99754200  0.99335900  0.16445800  1
  Li  Li6  1  0.49754300  0.50664000  0.66446200  1
  Li  Li7  1  0.49754300  0.00664200  0.16445800  1
  Li  Li8  1  0.23734200  0.73251600  0.15249500  1
  Li  Li9  1  0.23734300  0.23252000  0.65249700  1
  Li  Li10  1  0.73734200  0.26748400  0.15249500  1
  Li  Li11  1  0.73734400  0.76748000  0.65249700  1
  Li  Li12  1  0.73734200  0.26748400  0.84750600  1
  Li  Li13  1  0.73734400  0.76748000  0.34750300  1
  Li  Li14  1  0.23734200  0.73251600  0.84750500  1
  Li  Li15  1  0.23734300  0.23252000  0.34750300  1
  Fe  Fe16  1  0.27651100  0.85362800  0.49999900  1
  Fe  Fe17  1  0.77650400  0.14637200  0.50000100  1
  Fe  Fe18  1  0.27648900  0.35360800  0.00000000  1
  Fe  Fe19  1  0.77649500  0.64639000  0.00000000  1
  O  O20  1  0.01012300  0.79885400  0.00000000  1
  O  O21  1  0.01011600  0.29885400  0.50000000  1
  O  O22  1  0.51012200  0.20114700  0.00000000  1
  O  O23  1  0.51011800  0.70114600  0.50000000  1
  O  O24  1  0.24974400  0.46862400  0.20690600  1
  O  O25  1  0.24974400  0.96862500  0.70691200  1
  O  O26  1  0.74974500  0.53137600  0.20690600  1
  O  O27  1  0.74974400  0.03137400  0.70691300  1
  O  O28  1  0.74974500  0.53137600  0.79309400  1
  O  O29  1  0.74974400  0.03137500  0.29308800  1
  O  O30  1  0.24974400  0.46862400  0.79309400  1
  O  O31  1  0.24974400  0.96862600  0.29308800  1
  F  F32  1  0.99411900  0.20544900  0.00000000  1
  F  F33  1  0.99412700  0.70545200  0.50000000  1
  F  F34  1  0.49412000  0.79455100  0.00000000  1
  F  F35  1  0.49412800  0.29454800  0.50000000  1
