# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31558400
_cell_length_b   8.04713146
_cell_length_c   8.85784905
_cell_angle_alpha   105.90952430
_cell_angle_beta   91.08526209
_cell_angle_gamma   101.25288591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li4 Fe8 F20'
_cell_volume   423.35610654
_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  0.79422600  0.20888100  0.43917500  1
  Li  Li1  1  0.30703400  0.21130200  0.16718900  1
  Li  Li2  1  0.69296600  0.78869800  0.83281100  1
  Li  Li3  1  0.20577400  0.79111900  0.56082500  1
  Fe  Fe4  1  0.54578700  0.18694600  0.79418600  1
  Fe  Fe5  1  0.04161200  0.16988900  0.79275500  1
  Fe  Fe6  1  0.33989700  0.39373500  0.58318000  1
  Fe  Fe7  1  0.85452800  0.39274800  0.11438000  1
  Fe  Fe8  1  0.14547200  0.60725200  0.88562000  1
  Fe  Fe9  1  0.66010300  0.60626500  0.41682000  1
  Fe  Fe10  1  0.95838800  0.83011100  0.20724500  1
  Fe  Fe11  1  0.45421300  0.81305400  0.20581400  1
  F  F12  1  0.74366600  0.00176400  0.76895000  1
  F  F13  1  0.25398500  0.00161100  0.73197700  1
  F  F14  1  0.74601500  0.99838900  0.26802300  1
  F  F15  1  0.25633400  0.99823600  0.23105000  1
  F  F16  1  0.55934300  0.22231400  0.57678300  1
  F  F17  1  0.86908700  0.39180000  0.86682500  1
  F  F18  1  0.04667500  0.21894100  0.57192200  1
  F  F19  1  0.32602900  0.38473000  0.82734300  1
  F  F20  1  0.55307700  0.23276500  0.03333500  1
  F  F21  1  0.83066200  0.39794400  0.34520600  1
  F  F22  1  0.05928600  0.21743300  0.03704200  1
  F  F23  1  0.38098700  0.40425300  0.35389900  1
  F  F24  1  0.61901300  0.59574700  0.64610100  1
  F  F25  1  0.94071400  0.78256700  0.96295800  1
  F  F26  1  0.16933800  0.60205600  0.65479400  1
  F  F27  1  0.44692300  0.76723500  0.96666500  1
  F  F28  1  0.67397100  0.61527000  0.17265700  1
  F  F29  1  0.95332500  0.78105900  0.42807800  1
  F  F30  1  0.13091300  0.60820000  0.13317500  1
  F  F31  1  0.44065700  0.77768600  0.42321700  1
