# generated using pymatgen
data_Li2FeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13598900
_cell_length_b   8.86869200
_cell_length_c   15.66062377
_cell_angle_alpha   58.27310242
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeS2
_chemical_formula_sum   'Li16 Fe8 S16'
_cell_volume   724.87040403
_cell_formula_units_Z   8
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  0.98283200  0.64801700  0.75333000  1
  Li  Li1  1  0.44195400  0.61636100  0.83796600  1
  Li  Li2  1  0.87619000  0.85355900  0.45209600  1
  Li  Li3  1  0.96915900  0.08130000  0.18773500  1
  Li  Li4  1  0.46915900  0.91870000  0.31226500  1
  Li  Li5  1  0.37619000  0.14644100  0.04790400  1
  Li  Li6  1  0.94195400  0.38363900  0.66203400  1
  Li  Li7  1  0.48283200  0.35198300  0.74667000  1
  Li  Li8  1  0.51716800  0.64801700  0.25333000  1
  Li  Li9  1  0.05804600  0.61636100  0.33796600  1
  Li  Li10  1  0.62381000  0.85355900  0.95209600  1
  Li  Li11  1  0.53084100  0.08130000  0.68773500  1
  Li  Li12  1  0.03084100  0.91870000  0.81226500  1
  Li  Li13  1  0.12381000  0.14644100  0.54790400  1
  Li  Li14  1  0.55804600  0.38363900  0.16203400  1
  Li  Li15  1  0.01716800  0.35198300  0.24667000  1
  Fe  Fe16  1  0.49149400  0.87163700  0.58989500  1
  Fe  Fe17  1  0.98538300  0.37189800  0.97487300  1
  Fe  Fe18  1  0.48538300  0.62810200  0.52512700  1
  Fe  Fe19  1  0.99149400  0.12836300  0.91010500  1
  Fe  Fe20  1  0.00850600  0.87163700  0.08989500  1
  Fe  Fe21  1  0.51461700  0.37189800  0.47487300  1
  Fe  Fe22  1  0.01461700  0.62810200  0.02512700  1
  Fe  Fe23  1  0.50850600  0.12836300  0.41010500  1
  S  S24  1  0.20533600  0.35938200  0.10019500  1
  S  S25  1  0.74035300  0.12738300  0.29602300  1
  S  S26  1  0.27015100  0.88239900  0.46013400  1
  S  S27  1  0.71738700  0.62687800  0.64368100  1
  S  S28  1  0.21738700  0.37312200  0.85631900  1
  S  S29  1  0.77015100  0.11760100  0.03986600  1
  S  S30  1  0.29466400  0.35938200  0.60019500  1
  S  S31  1  0.24035300  0.87261700  0.20397700  1
  S  S32  1  0.75964700  0.12738300  0.79602300  1
  S  S33  1  0.70533600  0.64061800  0.39980500  1
  S  S34  1  0.22984900  0.88239900  0.96013400  1
  S  S35  1  0.78261300  0.62687800  0.14368100  1
  S  S36  1  0.28261300  0.37312200  0.35631900  1
  S  S37  1  0.72984900  0.11760100  0.53986600  1
  S  S38  1  0.25964700  0.87261700  0.70397700  1
  S  S39  1  0.79466400  0.64061800  0.89980500  1
