# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04673449
_cell_length_b   8.46954800
_cell_length_c   6.65439546
_cell_angle_alpha   90.25117101
_cell_angle_beta   89.86442600
_cell_angle_gamma   89.94649504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li4 Fe8 F20'
_cell_volume   453.50588758
_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  0.17043800  0.31801200  0.75328300  1
  Li  Li1  1  0.32928300  0.81528900  0.75117500  1
  Li  Li2  1  0.66888700  0.18426400  0.24929500  1
  Li  Li3  1  0.82962000  0.68325800  0.24772200  1
  Fe  Fe4  1  0.99997800  0.00058700  0.00110700  1
  Fe  Fe5  1  0.99962000  0.99969500  0.50010200  1
  Fe  Fe6  1  0.10431200  0.33151000  0.25472800  1
  Fe  Fe7  1  0.39802400  0.82961400  0.25261900  1
  Fe  Fe8  1  0.50190100  0.50096000  0.00047500  1
  Fe  Fe9  1  0.50182800  0.50001100  0.50084800  1
  Fe  Fe10  1  0.60217000  0.16900000  0.75068600  1
  Fe  Fe11  1  0.89855100  0.67187500  0.74826500  1
  F  F12  1  0.03952900  0.49309100  0.75019200  1
  F  F13  1  0.13601600  0.20316400  0.99346500  1
  F  F14  1  0.13907700  0.20125300  0.50838600  1
  F  F15  1  0.10586100  0.87956800  0.74951100  1
  F  F16  1  0.15069900  0.91706900  0.25027400  1
  F  F17  1  0.35174000  0.41571500  0.25106600  1
  F  F18  1  0.39631100  0.37760700  0.75144100  1
  F  F19  1  0.35935700  0.69877300  0.50769100  1
  F  F20  1  0.36086000  0.70031900  0.99385700  1
  F  F21  1  0.46358300  0.98837100  0.74338100  1
  F  F22  1  0.53311200  0.01257500  0.24470600  1
  F  F23  1  0.64078900  0.29984500  0.00609400  1
  F  F24  1  0.64019800  0.29899700  0.49400200  1
  F  F25  1  0.60341800  0.62708800  0.25103300  1
  F  F26  1  0.65130300  0.58459000  0.74940200  1
  F  F27  1  0.85009500  0.08315900  0.75133900  1
  F  F28  1  0.88991000  0.11510700  0.25214800  1
  F  F29  1  0.86377000  0.79785300  0.00828200  1
  F  F30  1  0.86315600  0.79746200  0.48953200  1
  F  F31  1  0.95660300  0.50432000  0.24389600  1
