# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60532100
_cell_length_b   8.17437364
_cell_length_c   8.47596056
_cell_angle_alpha   90.31159647
_cell_angle_beta   90.39097622
_cell_angle_gamma   90.33966758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li4 Fe8 F20'
_cell_volume   457.62851565
_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  0.24676500  0.17204200  0.68376000  1
  Li  Li1  1  0.24868400  0.32713600  0.18318300  1
  Li  Li2  1  0.75034800  0.67294800  0.81603000  1
  Li  Li3  1  0.75294100  0.82793700  0.31817500  1
  Fe  Fe4  1  0.99909900  0.99957400  0.99894400  1
  Fe  Fe5  1  0.50068500  0.99966200  0.99855100  1
  Fe  Fe6  1  0.74498400  0.11760900  0.65555700  1
  Fe  Fe7  1  0.74671300  0.39385000  0.16207700  1
  Fe  Fe8  1  0.00109100  0.50242800  0.49865000  1
  Fe  Fe9  1  0.49844700  0.50257800  0.49981800  1
  Fe  Fe10  1  0.24919000  0.60751800  0.83804700  1
  Fe  Fe11  1  0.25472200  0.89182600  0.33642000  1
  F  F12  1  0.24273800  0.04131800  0.50759800  1
  F  F13  1  0.00440400  0.12892500  0.79225300  1
  F  F14  1  0.49461400  0.13697100  0.79305200  1
  F  F15  1  0.25355000  0.10874300  0.11194700  1
  F  F16  1  0.75003600  0.15404500  0.08062000  1
  F  F17  1  0.74853100  0.35641200  0.58595700  1
  F  F18  1  0.24881300  0.39148000  0.61401200  1
  F  F19  1  0.49457800  0.36002300  0.29834700  1
  F  F20  1  0.00507600  0.36215000  0.29669600  1
  F  F21  1  0.25491500  0.46209100  0.01148400  1
  F  F22  1  0.75454000  0.53705500  0.98765600  1
  F  F23  1  0.99435600  0.63908000  0.70236300  1
  F  F24  1  0.50437800  0.63750700  0.70467500  1
  F  F25  1  0.74953500  0.60770200  0.38410000  1
  F  F26  1  0.25115400  0.65285600  0.41814400  1
  F  F27  1  0.24949800  0.84659700  0.91975500  1
  F  F28  1  0.74658300  0.88650100  0.89412900  1
  F  F29  1  0.99368900  0.86639900  0.20396400  1
  F  F30  1  0.50653900  0.86017000  0.20308300  1
  F  F31  1  0.75880200  0.94886700  0.50095200  1
