# generated using pymatgen
data_Li4FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64959000
_cell_length_b   11.44485100
_cell_length_c   12.47485700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeS3
_chemical_formula_sum   'Li32 Fe8 S24'
_cell_volume   1234.92687176
_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  0.04417000  0.12487900  0.99178200  1
  Li  Li1  1  0.04417000  0.62487900  0.50821800  1
  Li  Li2  1  0.06416800  0.30223400  0.28808300  1
  Li  Li3  1  0.06416800  0.80223400  0.21191700  1
  Li  Li4  1  0.20838900  0.17632100  0.63983000  1
  Li  Li5  1  0.20838900  0.67632100  0.86017000  1
  Li  Li6  1  0.15720600  0.50596800  0.17727900  1
  Li  Li7  1  0.15720600  0.00596800  0.32272100  1
  Li  Li8  1  0.34279400  0.00596800  0.82272100  1
  Li  Li9  1  0.34279400  0.50596800  0.67727900  1
  Li  Li10  1  0.29161100  0.17632100  0.13983000  1
  Li  Li11  1  0.29161100  0.67632100  0.36017000  1
  Li  Li12  1  0.43583200  0.30223400  0.78808300  1
  Li  Li13  1  0.43583200  0.80223400  0.71191700  1
  Li  Li14  1  0.45583000  0.12487900  0.49178200  1
  Li  Li15  1  0.45583000  0.62487900  0.00821800  1
  Li  Li16  1  0.54417000  0.87512100  0.50821800  1
  Li  Li17  1  0.54417000  0.37512100  0.99178200  1
  Li  Li18  1  0.56416800  0.19776600  0.28808300  1
  Li  Li19  1  0.56416800  0.69776600  0.21191700  1
  Li  Li20  1  0.70838900  0.32367900  0.63983000  1
  Li  Li21  1  0.70838900  0.82367900  0.86017000  1
  Li  Li22  1  0.65720600  0.99403200  0.17727900  1
  Li  Li23  1  0.65720600  0.49403200  0.32272100  1
  Li  Li24  1  0.84279400  0.99403200  0.67727900  1
  Li  Li25  1  0.84279400  0.49403200  0.82272100  1
  Li  Li26  1  0.79161100  0.32367900  0.13983000  1
  Li  Li27  1  0.79161100  0.82367900  0.36017000  1
  Li  Li28  1  0.93583200  0.69776600  0.71191700  1
  Li  Li29  1  0.93583200  0.19776600  0.78808300  1
  Li  Li30  1  0.95583000  0.87512100  0.00821800  1
  Li  Li31  1  0.95583000  0.37512100  0.49178200  1
  Fe  Fe32  1  0.19705000  0.35095400  0.94087800  1
  Fe  Fe33  1  0.19705000  0.85095400  0.55912200  1
  Fe  Fe34  1  0.30295000  0.35095400  0.44087800  1
  Fe  Fe35  1  0.30295000  0.85095400  0.05912200  1
  Fe  Fe36  1  0.69705000  0.14904600  0.94087800  1
  Fe  Fe37  1  0.69705000  0.64904600  0.55912200  1
  Fe  Fe38  1  0.80295000  0.64904600  0.05912200  1
  Fe  Fe39  1  0.80295000  0.14904600  0.44087800  1
  S  S40  1  0.07407600  0.32226800  0.09505500  1
  S  S41  1  0.07407600  0.82226800  0.40494500  1
  S  S42  1  0.20857900  0.18897500  0.84047500  1
  S  S43  1  0.20857900  0.68897500  0.65952500  1
  S  S44  1  0.14717900  0.98861500  0.12277500  1
  S  S45  1  0.14717900  0.48861500  0.37722500  1
  S  S46  1  0.35282100  0.98861500  0.62277500  1
  S  S47  1  0.35282100  0.48861500  0.87722500  1
  S  S48  1  0.29142100  0.68897500  0.15952500  1
  S  S49  1  0.29142100  0.18897500  0.34047500  1
  S  S50  1  0.42592400  0.32226800  0.59505500  1
  S  S51  1  0.42592400  0.82226800  0.90494500  1
  S  S52  1  0.57407600  0.17773200  0.09505500  1
  S  S53  1  0.57407600  0.67773200  0.40494500  1
  S  S54  1  0.70857900  0.31102500  0.84047500  1
  S  S55  1  0.70857900  0.81102500  0.65952500  1
  S  S56  1  0.64717900  0.01138500  0.37722500  1
  S  S57  1  0.64717900  0.51138500  0.12277500  1
  S  S58  1  0.85282100  0.01138500  0.87722500  1
  S  S59  1  0.85282100  0.51138500  0.62277500  1
  S  S60  1  0.79142100  0.81102500  0.15952500  1
  S  S61  1  0.79142100  0.31102500  0.34047500  1
  S  S62  1  0.92592400  0.67773200  0.90494500  1
  S  S63  1  0.92592400  0.17773200  0.59505500  1
