# generated using pymatgen
data_Li3FeOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29856269
_cell_length_b   7.49639278
_cell_length_c   5.39980545
_cell_angle_alpha   106.91706056
_cell_angle_beta   94.55849247
_cell_angle_gamma   110.67773419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeOF4
_chemical_formula_sum   'Li6 Fe2 O2 F8'
_cell_volume   187.96034705
_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  0.50977100  0.28405600  0.42609700  1
  Li  Li1  1  0.00976500  0.78405400  0.42608600  1
  Li  Li2  1  0.95058300  0.20510300  0.63005400  1
  Li  Li3  1  0.45059400  0.70510200  0.63005400  1
  Li  Li4  1  0.47299600  0.88039600  0.17821700  1
  Li  Li5  1  0.97297500  0.38038400  0.17821100  1
  Fe  Fe6  1  0.99099200  0.97659200  0.98463400  1
  Fe  Fe7  1  0.49097100  0.47659800  0.98467200  1
  O  O8  1  0.19535100  0.24473800  0.99359000  1
  O  O9  1  0.69537300  0.74475700  0.99358900  1
  F  F10  1  0.72676900  0.51043600  0.32222400  1
  F  F11  1  0.22677700  0.01043600  0.32221300  1
  F  F12  1  0.77241100  0.13999700  0.25644000  1
  F  F13  1  0.27241700  0.63999100  0.25643400  1
  F  F14  1  0.71546500  0.33836000  0.79375300  1
  F  F15  1  0.21547700  0.83834900  0.79374000  1
  F  F16  1  0.78330300  0.92275800  0.61574100  1
  F  F17  1  0.28330000  0.42276100  0.61574700  1
