# generated using pymatgen
data_Li2Fe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08762100
_cell_length_b   8.29705200
_cell_length_c   8.97507358
_cell_angle_alpha   90.00000000
_cell_angle_beta   121.91228825
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(SO4)2
_chemical_formula_sum   'Li4 Fe2 S4 O16'
_cell_volume   321.59685829
_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  0.01683500  0.86253100  0.60094800  1
  Li  Li1  1  0.98316500  0.36253100  0.89905200  1
  Li  Li2  1  0.98316500  0.13746900  0.39905200  1
  Li  Li3  1  0.01683500  0.63746900  0.10094800  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  S  S6  1  0.33222400  0.19541500  0.80310400  1
  S  S7  1  0.66777600  0.69541500  0.69689600  1
  S  S8  1  0.66777600  0.80458500  0.19689600  1
  S  S9  1  0.33222400  0.30458500  0.30310400  1
  O  O10  1  0.18198300  0.08219500  0.65397300  1
  O  O11  1  0.81801700  0.58219500  0.84602700  1
  O  O12  1  0.81801700  0.91780500  0.34602700  1
  O  O13  1  0.18198300  0.41780500  0.15397300  1
  O  O14  1  0.20286300  0.36169200  0.74910500  1
  O  O15  1  0.79713700  0.86169200  0.75089500  1
  O  O16  1  0.79713700  0.63830800  0.25089500  1
  O  O17  1  0.20286300  0.13830800  0.24910500  1
  O  O18  1  0.27785200  0.14854200  0.94502300  1
  O  O19  1  0.72214800  0.64854200  0.55497700  1
  O  O20  1  0.72214800  0.85145800  0.05497700  1
  O  O21  1  0.27785200  0.35145800  0.44502300  1
  O  O22  1  0.67373400  0.19671700  0.87701200  1
  O  O23  1  0.32626600  0.69671700  0.62298800  1
  O  O24  1  0.32626600  0.80328300  0.12298800  1
  O  O25  1  0.67373400  0.30328300  0.37701200  1
