# generated using pymatgen
data_Li3Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30406700
_cell_length_b   5.67615002
_cell_length_c   9.22458755
_cell_angle_alpha   105.66523298
_cell_angle_beta   89.82003633
_cell_angle_gamma   117.19135901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe5OF11
_chemical_formula_sum   'Li3 Fe5 O1 F11'
_cell_volume   235.49762004
_cell_formula_units_Z   1
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  0.79216800  0.68267900  0.94278700  1
  Li  Li1  1  0.27152400  0.70545300  0.42209000  1
  Li  Li2  1  0.22520500  0.27982600  0.07365100  1
  Fe  Fe3  1  0.47978800  0.29613100  0.82967900  1
  Fe  Fe4  1  0.96727200  0.30502300  0.33178400  1
  Fe  Fe5  1  0.01672700  0.72573700  0.66994400  1
  Fe  Fe6  1  0.74224000  0.28915100  0.57224800  1
  Fe  Fe7  1  0.52114500  0.69573700  0.17077400  1
  O  O8  1  0.97601800  0.20005100  0.52240400  1
  F  F9  1  0.51109700  0.19184700  0.27123000  1
  F  F10  1  0.02265300  0.19639200  0.78348100  1
  F  F11  1  0.57482500  0.47203400  0.63030800  1
  F  F12  1  0.92970800  0.49941800  0.87890400  1
  F  F13  1  0.47569400  0.19778200  0.02847900  1
  F  F14  1  0.52565800  0.81463300  0.96513300  1
  F  F15  1  0.03187800  0.80538000  0.47094700  1
  F  F16  1  0.07446900  0.51263200  0.13295400  1
  F  F17  1  0.43704100  0.51288100  0.37175500  1
  F  F18  1  0.47018700  0.78694700  0.72520500  1
  F  F19  1  0.95470400  0.83026700  0.20624300  1
