# generated using pymatgen
data_Li3Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30406658
_cell_length_b   5.73031180
_cell_length_c   9.43586336
_cell_angle_alpha   85.25092187
_cell_angle_beta   74.22762742
_cell_angle_gamma   118.22731844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe5OF11
_chemical_formula_sum   'Li3 Fe5 O1 F11'
_cell_volume   235.49760021
_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  0.16670200  0.37453400  0.05721300  1
  Li  Li1  1  0.14398100  0.87245700  0.57791000  1
  Li  Li2  1  0.87172800  0.64652300  0.92634900  1
  Fe  Fe3  1  0.35397900  0.87419100  0.17032100  1
  Fe  Fe4  1  0.33046500  0.36319200  0.66821600  1
  Fe  Fe5  1  0.62104600  0.60432000  0.33005600  1
  Fe  Fe6  1  0.88084100  0.13860100  0.42775200  1
  Fe  Fe7  1  0.65463400  0.13348900  0.82922600  1
  O  O8  1  0.25356300  0.27754500  0.47759600  1
  F  F9  1  0.04801900  0.53692200  0.72877000  1
  F  F10  1  0.04278000  0.02012600  0.21651900  1
  F  F11  1  0.47248300  0.89765800  0.36969200  1
  F  F12  1  0.55138600  0.62167800  0.12109600  1
  F  F13  1  0.24943300  0.77374000  0.97152100  1
  F  F14  1  0.74589200  0.22023400  0.03486700  1
  F  F15  1  0.75555100  0.72367300  0.52905300  1
  F  F16  1  0.42888300  0.35441400  0.86704600  1
  F  F17  1  0.55240500  0.11536400  0.62824500  1
  F  F18  1  0.95803500  0.48784800  0.27479500  1
  F  F19  1  0.91819400  0.96349100  0.79375700  1
