# generated using pymatgen
data_Li6Fe2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44081174
_cell_length_b   9.44081174
_cell_length_c   9.44081174
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe2C4SO16
_chemical_formula_sum   'Li12 Fe4 C8 S2 O32'
_cell_volume   594.99458624
_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  0.03147000  0.46853000  0.46853000  1.0
  Li  Li1  1  0.78147000  0.21853000  0.21853000  1.0
  Li  Li2  1  0.46853000  0.46853000  0.03147000  1.0
  Li  Li3  1  0.03147000  0.46853000  0.03147000  1.0
  Li  Li4  1  0.03147000  0.03147000  0.46853000  1.0
  Li  Li5  1  0.46853000  0.03147000  0.46853000  1.0
  Li  Li6  1  0.78147000  0.21853000  0.78147000  1.0
  Li  Li7  1  0.21853000  0.21853000  0.78147000  1.0
  Li  Li8  1  0.78147000  0.78147000  0.21853000  1.0
  Li  Li9  1  0.21853000  0.78147000  0.21853000  1.0
  Li  Li10  1  0.46853000  0.03147000  0.03147000  1.0
  Li  Li11  1  0.21853000  0.78147000  0.78147000  1.0
  Fe  Fe12  1  0.62500000  0.62500000  0.62500000  1.0
  Fe  Fe13  1  0.12500000  0.62500000  0.62500000  1.0
  Fe  Fe14  1  0.62500000  0.62500000  0.12500000  1.0
  Fe  Fe15  1  0.62500000  0.12500000  0.62500000  1.0
  C  C16  1  0.85032200  0.85032200  0.44903500  1.0
  C  C17  1  0.85032200  0.44903500  0.85032200  1.0
  C  C18  1  0.85032200  0.85032200  0.85032200  1.0
  C  C19  1  0.44903500  0.85032200  0.85032200  1.0
  C  C20  1  0.80096500  0.39967800  0.39967800  1.0
  C  C21  1  0.39967800  0.39967800  0.39967800  1.0
  C  C22  1  0.39967800  0.39967800  0.80096500  1.0
  C  C23  1  0.39967800  0.80096500  0.39967800  1.0
  S  S24  1  0.00000000  0.00000000  0.00000000  1.0
  S  S25  1  0.25000000  0.25000000  0.25000000  1.0
  O  O26  1  0.06465900  0.06465900  0.80602300  1.0
  O  O27  1  0.06465900  0.80602300  0.06465900  1.0
  O  O28  1  0.80602300  0.06465900  0.06465900  1.0
  O  O29  1  0.06465900  0.06465900  0.06465900  1.0
  O  O30  1  0.99200800  0.71730600  0.44935300  1.0
  O  O31  1  0.84133300  0.44935300  0.71730600  1.0
  O  O32  1  0.71730600  0.84133300  0.44935300  1.0
  O  O33  1  0.99200800  0.44935300  0.84133300  1.0
  O  O34  1  0.71730600  0.44935300  0.99200800  1.0
  O  O35  1  0.84133300  0.99200800  0.44935300  1.0
  O  O36  1  0.44935300  0.71730600  0.84133300  1.0
  O  O37  1  0.99200800  0.84133300  0.71730600  1.0
  O  O38  1  0.80064700  0.40866700  0.25799200  1.0
  O  O39  1  0.53269400  0.25799200  0.40866700  1.0
  O  O40  1  0.44935300  0.99200800  0.71730600  1.0
  O  O41  1  0.84133300  0.71730600  0.99200800  1.0
  O  O42  1  0.80064700  0.25799200  0.53269400  1.0
  O  O43  1  0.40866700  0.53269400  0.25799200  1.0
  O  O44  1  0.44935300  0.84133300  0.99200800  1.0
  O  O45  1  0.71730600  0.99200800  0.84133300  1.0
  O  O46  1  0.80064700  0.53269400  0.40866700  1.0
  O  O47  1  0.25799200  0.40866700  0.53269400  1.0
  O  O48  1  0.40866700  0.25799200  0.80064700  1.0
  O  O49  1  0.53269400  0.80064700  0.25799200  1.0
  O  O50  1  0.53269400  0.40866700  0.80064700  1.0
  O  O51  1  0.25799200  0.80064700  0.40866700  1.0
  O  O52  1  0.40866700  0.80064700  0.53269400  1.0
  O  O53  1  0.25799200  0.53269400  0.80064700  1.0
  O  O54  1  0.18534100  0.18534100  0.18534100  1.0
  O  O55  1  0.44397700  0.18534100  0.18534100  1.0
  O  O56  1  0.18534100  0.44397700  0.18534100  1.0
  O  O57  1  0.18534100  0.18534100  0.44397700  1.0