# generated using pymatgen
data_Li5FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45711030
_cell_length_b   11.42616436
_cell_length_c   11.14985770
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeS4
_chemical_formula_sum   'Li40 Fe8 S32'
_cell_volume   1459.63707436
_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  0.11380454  0.61683932  0.14283026  1
  Li  Li1  1  0.11380454  0.88316068  0.64283026  1
  Li  Li2  1  0.11598054  0.11532709  0.84888739  1
  Li  Li3  1  0.11598054  0.38467291  0.34888739  1
  Li  Li4  1  0.11839544  0.85385472  0.37222729  1
  Li  Li5  1  0.11839544  0.64614528  0.87222729  1
  Li  Li6  1  0.14149762  0.87869262  0.10420083  1
  Li  Li7  1  0.14149762  0.62130738  0.60420083  1
  Li  Li8  1  0.15003479  0.12353843  0.38918789  1
  Li  Li9  1  0.15003479  0.37646157  0.88918789  1
  Li  Li10  1  0.34996521  0.87646157  0.88918789  1
  Li  Li11  1  0.34996521  0.62353843  0.38918789  1
  Li  Li12  1  0.35850238  0.12130738  0.60420083  1
  Li  Li13  1  0.35850238  0.37869262  0.10420083  1
  Li  Li14  1  0.38160456  0.35385472  0.37222729  1
  Li  Li15  1  0.38160456  0.14614528  0.87222729  1
  Li  Li16  1  0.38401946  0.61532709  0.84888739  1
  Li  Li17  1  0.38401946  0.88467291  0.34888739  1
  Li  Li18  1  0.38619546  0.38316168  0.64283026  1
  Li  Li19  1  0.38619546  0.11683832  0.14283026  1
  Li  Li20  1  0.61380454  0.61683932  0.35716974  1
  Li  Li21  1  0.61380454  0.88316068  0.85716974  1
  Li  Li22  1  0.61598054  0.11532709  0.65111261  1
  Li  Li23  1  0.61598054  0.38467291  0.15111261  1
  Li  Li24  1  0.61839544  0.64614528  0.62777271  1
  Li  Li25  1  0.61839544  0.85385472  0.12777271  1
  Li  Li26  1  0.64149762  0.62130738  0.89579917  1
  Li  Li27  1  0.64149762  0.87869262  0.39579917  1
  Li  Li28  1  0.65003479  0.12353843  0.11081211  1
  Li  Li29  1  0.65003479  0.37646157  0.61081211  1
  Li  Li30  1  0.84996521  0.62353843  0.11081211  1
  Li  Li31  1  0.84996521  0.87646157  0.61081211  1
  Li  Li32  1  0.85850238  0.37869262  0.39579917  1
  Li  Li33  1  0.85850238  0.12130738  0.89579917  1
  Li  Li34  1  0.88160456  0.14614528  0.62777271  1
  Li  Li35  1  0.88160456  0.35385472  0.12777271  1
  Li  Li36  1  0.88401946  0.61532709  0.65111261  1
  Li  Li37  1  0.88401946  0.88467291  0.15111261  1
  Li  Li38  1  0.88619546  0.11683832  0.35716974  1
  Li  Li39  1  0.88619546  0.38316168  0.85716974  1
  Fe  Fe40  1  0.12521140  0.13935910  0.11797687  1
  Fe  Fe41  1  0.12521140  0.36064090  0.61797687  1
  Fe  Fe42  1  0.37478860  0.63935910  0.11797687  1
  Fe  Fe43  1  0.37478860  0.86064090  0.61797687  1
  Fe  Fe44  1  0.62521140  0.13935910  0.38202313  1
  Fe  Fe45  1  0.62521140  0.36064090  0.88202313  1
  Fe  Fe46  1  0.87478860  0.63935910  0.38202313  1
  Fe  Fe47  1  0.87478860  0.86064090  0.88202313  1
  S  S48  1  0.00857896  0.25422978  0.49224629  1
  S  S49  1  0.00857896  0.24577022  0.99224629  1
  S  S50  1  0.03092575  0.00986530  0.24286590  1
  S  S51  1  0.03092575  0.49013470  0.74286590  1
  S  S52  1  0.24748997  0.03009190  0.99963891  1
  S  S53  1  0.24748997  0.46990810  0.49963891  1
  S  S54  1  0.24435662  0.24956404  0.23743836  1
  S  S55  1  0.24435662  0.25043596  0.73743836  1
  S  S56  1  0.25564338  0.74956404  0.23743836  1
  S  S57  1  0.25564338  0.75043596  0.73743836  1
  S  S58  1  0.25251003  0.53009290  0.99963891  1
  S  S59  1  0.25251003  0.96990710  0.49963891  1
  S  S60  1  0.46907425  0.50986530  0.24286590  1
  S  S61  1  0.46907425  0.99013470  0.74286590  1
  S  S62  1  0.49142104  0.75422978  0.49224629  1
  S  S63  1  0.49142104  0.74577022  0.99224629  1
  S  S64  1  0.50857896  0.25422978  0.00775371  1
  S  S65  1  0.50857896  0.24577022  0.50775371  1
  S  S66  1  0.53092575  0.00986530  0.25713410  1
  S  S67  1  0.53092575  0.49013470  0.75713410  1
  S  S68  1  0.74748997  0.46990810  0.00036109  1
  S  S69  1  0.74748997  0.03009190  0.50036109  1
  S  S70  1  0.74435662  0.24956404  0.26256164  1
  S  S71  1  0.74435662  0.25043596  0.76256164  1
  S  S72  1  0.75564338  0.74956404  0.26256164  1
  S  S73  1  0.75564338  0.75043596  0.76256164  1
  S  S74  1  0.75251003  0.96990710  0.00036109  1
  S  S75  1  0.75251003  0.53009290  0.50036109  1
  S  S76  1  0.96907425  0.99013470  0.75713410  1
  S  S77  1  0.96907425  0.50986530  0.25713410  1
  S  S78  1  0.99142104  0.75422978  0.00775371  1
  S  S79  1  0.99142104  0.74577022  0.50775371  1
