# generated using pymatgen
data_LiFeCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44510900
_cell_length_b   5.24079900
_cell_length_c   8.85202761
_cell_angle_alpha   86.35104296
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeCSO7
_chemical_formula_sum   'Li2 Fe2 C2 S2 O14'
_cell_volume   298.39338852
_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  0.46154500  0.77031300  0.83546600  1
  Li  Li1  1  0.96154500  0.22968700  0.16453400  1
  Fe  Fe2  1  0.25017700  0.21659500  0.65904100  1
  Fe  Fe3  1  0.75017700  0.78340500  0.34095900  1
  C  C4  1  0.25682400  0.27167400  0.93161900  1
  C  C5  1  0.75682400  0.72832600  0.06838100  1
  S  S6  1  0.75379500  0.27059900  0.56999800  1
  S  S7  1  0.25379500  0.72940100  0.43000200  1
  O  O8  1  0.72259300  0.69600200  0.93281000  1
  O  O9  1  0.26195000  0.04533400  0.87149000  1
  O  O10  1  0.28209700  0.46099200  0.82486700  1
  O  O11  1  0.93765000  0.20980800  0.66550900  1
  O  O12  1  0.57033900  0.17925300  0.65814300  1
  O  O13  1  0.26566300  0.85506600  0.57625900  1
  O  O14  1  0.73951700  0.55356200  0.53481900  1
  O  O15  1  0.23951700  0.44643800  0.46518100  1
  O  O16  1  0.76566300  0.14493400  0.42374100  1
  O  O17  1  0.07033900  0.82074700  0.34185700  1
  O  O18  1  0.43765000  0.79019200  0.33449100  1
  O  O19  1  0.78209700  0.53900800  0.17513300  1
  O  O20  1  0.76195000  0.95466600  0.12851000  1
  O  O21  1  0.22259300  0.30399800  0.06719000  1
