# generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58873650
_cell_length_b   8.58873650
_cell_length_c   4.69317460
_cell_angle_alpha   89.47607367
_cell_angle_beta   89.47607367
_cell_angle_gamma   61.11034026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF6
_chemical_formula_sum   'Li6 Fe3 F18'
_cell_volume   303.09766786
_cell_formula_units_Z   3
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  0.63536100  0.99456800  0.97175300  1
  Li  Li1  1  0.30909300  0.99421300  0.51219200  1
  Li  Li2  1  0.00543200  0.36463900  0.02824700  1
  Li  Li3  1  0.69793100  0.30206900  0.50000000  1
  Li  Li4  1  0.00578700  0.69090700  0.48780800  1
  Li  Li5  1  0.35757800  0.64242200  0.00000000  1
  Fe  Fe6  1  0.33360700  0.33299200  0.51199000  1
  Fe  Fe7  1  0.99760400  0.00239600  0.00000000  1
  Fe  Fe8  1  0.66700800  0.66639300  0.48801000  1
  F  F9  1  0.78592200  0.10058400  0.77710200  1
  F  F10  1  0.53806600  0.22787600  0.28930700  1
  F  F11  1  0.42353700  0.11794100  0.73638100  1
  F  F12  1  0.45147800  0.42112300  0.73607900  1
  F  F13  1  0.09186500  0.11146300  0.77895200  1
  F  F14  1  0.22521600  0.23239200  0.29190400  1
  F  F15  1  0.89941600  0.21407800  0.22289800  1
  F  F16  1  0.13076300  0.44466500  0.73493700  1
  F  F17  1  0.23552500  0.54620600  0.28455500  1
  F  F18  1  0.77212400  0.46193400  0.71069300  1
  F  F19  1  0.88205900  0.57646300  0.26361900  1
  F  F20  1  0.10439500  0.79381600  0.77618600  1
  F  F21  1  0.57887700  0.54852200  0.26392100  1
  F  F22  1  0.76760800  0.77478400  0.70809600  1
  F  F23  1  0.88853700  0.90813500  0.22104800  1
  F  F24  1  0.45379400  0.76447500  0.71544500  1
  F  F25  1  0.55533500  0.86923700  0.26506300  1
  F  F26  1  0.20618400  0.89560500  0.22381400  1
