# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05735637
_cell_length_b   9.05735637
_cell_length_c   5.43179139
_cell_angle_alpha   80.62448645
_cell_angle_beta   80.62448645
_cell_angle_gamma   143.57172016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li2 Fe4 O2 F10'
_cell_volume   225.82653635
_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  0.45549500  0.54450500  0.50000000  1
  Li  Li1  1  0.22253800  0.77746200  0.00000000  1
  Fe  Fe2  1  0.96273200  0.03726800  0.50000000  1
  Fe  Fe3  1  0.62231500  0.37768500  0.50000000  1
  Fe  Fe4  1  0.28876100  0.71123900  0.50000000  1
  Fe  Fe5  1  0.04154700  0.95845300  0.00000000  1
  O  O6  1  0.26504600  0.18857100  0.56962400  1
  O  O7  1  0.81142900  0.73495400  0.43037600  1
  F  F8  1  0.44899400  0.03514500  0.53057700  1
  F  F9  1  0.39586900  0.14184300  0.93553800  1
  F  F10  1  0.18458600  0.25655500  0.06481500  1
  F  F11  1  0.85815700  0.60413100  0.06446200  1
  F  F12  1  0.09148000  0.51292400  0.89943400  1
  F  F13  1  0.13769700  0.37722100  0.49737600  1
  F  F14  1  0.96485500  0.55100600  0.46942300  1
  F  F15  1  0.62277900  0.86230300  0.50262400  1
  F  F16  1  0.48707600  0.90852000  0.10056600  1
  F  F17  1  0.74344500  0.81541400  0.93518500  1
