# generated using pymatgen
data_Li2Fe2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96796305
_cell_length_b   7.96796305
_cell_length_c   8.86178716
_cell_angle_alpha   68.09915428
_cell_angle_beta   68.09915428
_cell_angle_gamma   66.07010290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2(SO4)3
_chemical_formula_sum   'Li4 Fe4 S6 O24'
_cell_volume   460.55292660
_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  0.66883400  0.86278500  0.05586200  1
  Li  Li1  1  0.86278500  0.66883400  0.55586200  1
  Li  Li2  1  0.13721500  0.33116600  0.44413800  1
  Li  Li3  1  0.33116600  0.13721500  0.94413800  1
  Fe  Fe4  1  0.36774900  0.87333900  0.48539000  1
  Fe  Fe5  1  0.87333900  0.36774900  0.98539000  1
  Fe  Fe6  1  0.12666100  0.63225100  0.01461000  1
  Fe  Fe7  1  0.63225100  0.12666100  0.51461000  1
  S  S8  1  0.75075700  0.54124900  0.32309200  1
  S  S9  1  0.54124900  0.75075700  0.82309200  1
  S  S10  1  0.06001800  0.93998200  0.25000000  1
  S  S11  1  0.93998200  0.06001800  0.75000000  1
  S  S12  1  0.45875100  0.24924300  0.17690800  1
  S  S13  1  0.24924300  0.45875100  0.67690800  1
  O  O14  1  0.87312700  0.95159300  0.38362000  1
  O  O15  1  0.95159300  0.87312700  0.88362000  1
  O  O16  1  0.87443800  0.50396200  0.42818700  1
  O  O17  1  0.61221800  0.73804800  0.31209700  1
  O  O18  1  0.86763600  0.54418800  0.14106800  1
  O  O19  1  0.50396200  0.87443800  0.92818700  1
  O  O20  1  0.21249000  0.90208300  0.32375800  1
  O  O21  1  0.65400900  0.39806600  0.38266100  1
  O  O22  1  0.73804800  0.61221800  0.81209700  1
  O  O23  1  0.54418800  0.86763600  0.64106800  1
  O  O24  1  0.90208300  0.21249000  0.82375800  1
  O  O25  1  0.60193400  0.34599100  0.11733900  1
  O  O26  1  0.39806600  0.65400900  0.88266100  1
  O  O27  1  0.09791700  0.78751000  0.17624200  1
  O  O28  1  0.45581200  0.13236400  0.35893200  1
  O  O29  1  0.26195200  0.38778200  0.18790300  1
  O  O30  1  0.34599100  0.60193400  0.61733900  1
  O  O31  1  0.78751000  0.09791700  0.67624200  1
  O  O32  1  0.49603800  0.12556200  0.07181300  1
  O  O33  1  0.13236400  0.45581200  0.85893200  1
  O  O34  1  0.38778200  0.26195200  0.68790300  1
  O  O35  1  0.12556200  0.49603800  0.57181300  1
  O  O36  1  0.04840700  0.12687300  0.11638000  1
  O  O37  1  0.12687300  0.04840700  0.61638000  1
