# generated using pymatgen
data_Li2FeCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15723933
_cell_length_b   6.44668838
_cell_length_c   4.98630560
_cell_angle_alpha   90.02956248
_cell_angle_beta   82.82306900
_cell_angle_gamma   89.99750906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCSO7
_chemical_formula_sum   'Li4 Fe2 C2 S2 O14'
_cell_volume   292.05457460
_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  0.17534400  0.51554900  0.21202800  1
  Li  Li1  1  0.17524100  0.98363700  0.21259300  1
  Li  Li2  1  0.82482900  0.48416700  0.78805300  1
  Li  Li3  1  0.82461300  0.01616400  0.78736200  1
  Fe  Fe4  1  0.35458500  0.74980700  0.76748700  1
  Fe  Fe5  1  0.64540100  0.24997000  0.23251700  1
  C  C6  1  0.07291000  0.75000100  0.72952400  1
  C  C7  1  0.92707600  0.24984900  0.27053300  1
  S  S8  1  0.40916900  0.25001000  0.75181200  1
  S  S9  1  0.59083400  0.75021700  0.24816000  1
  O  O10  1  0.06462900  0.24965300  0.29373900  1
  O  O11  1  0.12151200  0.74989500  0.96570100  1
  O  O12  1  0.17410400  0.74989200  0.51668800  1
  O  O13  1  0.32054800  0.06515000  0.85243600  1
  O  O14  1  0.32048900  0.43476300  0.85324300  1
  O  O15  1  0.44509500  0.75017300  0.15050200  1
  O  O16  1  0.43049400  0.25033300  0.44995000  1
  O  O17  1  0.56944800  0.75011800  0.55001100  1
  O  O18  1  0.55494100  0.24994400  0.84936000  1
  O  O19  1  0.67955900  0.56548100  0.14699000  1
  O  O20  1  0.67944300  0.93508500  0.14734800  1
  O  O21  1  0.82587800  0.24993500  0.48331000  1
  O  O22  1  0.87850100  0.25008900  0.03433100  1
  O  O23  1  0.93535500  0.75011900  0.70632400  1
