# generated using pymatgen
data_Li5FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26626953
_cell_length_b   6.40299434
_cell_length_c   19.41057441
_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   1400.23729996
_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  0.04674486  0.04110599  0.43469379  1
  Li  Li1  1  0.04674486  0.45889401  0.93469379  1
  Li  Li2  1  0.08641901  0.61567413  0.75354000  1
  Li  Li3  1  0.08641901  0.88432587  0.25354000  1
  Li  Li4  1  0.15756802  0.58947657  0.50555167  1
  Li  Li5  1  0.15756802  0.91052343  0.00555167  1
  Li  Li6  1  0.15662776  0.39154753  0.33954992  1
  Li  Li7  1  0.15662776  0.10845247  0.83954992  1
  Li  Li8  1  0.21198876  0.53263663  0.14033353  1
  Li  Li9  1  0.21198876  0.96736337  0.64033353  1
  Li  Li10  1  0.28801124  0.03263663  0.14033353  1
  Li  Li11  1  0.28801124  0.46736337  0.64033353  1
  Li  Li12  1  0.34337224  0.89154753  0.33954992  1
  Li  Li13  1  0.34337224  0.60845247  0.83954992  1
  Li  Li14  1  0.34243198  0.08947657  0.50555167  1
  Li  Li15  1  0.34243198  0.41052343  0.00555167  1
  Li  Li16  1  0.41358099  0.38432587  0.25354000  1
  Li  Li17  1  0.41358099  0.11567413  0.75354000  1
  Li  Li18  1  0.45325514  0.95889401  0.93469379  1
  Li  Li19  1  0.45325514  0.54110599  0.43469379  1
  Li  Li20  1  0.54674486  0.04110599  0.06530621  1
  Li  Li21  1  0.54674486  0.45889401  0.56530621  1
  Li  Li22  1  0.58641901  0.88432587  0.24646000  1
  Li  Li23  1  0.58641901  0.61567413  0.74646000  1
  Li  Li24  1  0.65756802  0.58947657  0.99444833  1
  Li  Li25  1  0.65756802  0.91052343  0.49444833  1
  Li  Li26  1  0.65662776  0.39154753  0.16045008  1
  Li  Li27  1  0.65662776  0.10845247  0.66045008  1
  Li  Li28  1  0.71198876  0.53263663  0.35966647  1
  Li  Li29  1  0.71198876  0.96736337  0.85966647  1
  Li  Li30  1  0.78801124  0.03263663  0.35966647  1
  Li  Li31  1  0.78801124  0.46736337  0.85966647  1
  Li  Li32  1  0.84337224  0.60845247  0.66045008  1
  Li  Li33  1  0.84337224  0.89154753  0.16045008  1
  Li  Li34  1  0.84243198  0.08947657  0.99444833  1
  Li  Li35  1  0.84243198  0.41052343  0.49444833  1
  Li  Li36  1  0.91358099  0.38432587  0.24646000  1
  Li  Li37  1  0.91358099  0.11567413  0.74646000  1
  Li  Li38  1  0.95325514  0.95889401  0.56530621  1
  Li  Li39  1  0.95325514  0.54110599  0.06530621  1
  Fe  Fe40  1  0.04283200  0.16282874  0.12630268  1
  Fe  Fe41  1  0.04283200  0.33717126  0.62630268  1
  Fe  Fe42  1  0.45716800  0.66282874  0.12630268  1
  Fe  Fe43  1  0.45716800  0.83717126  0.62630268  1
  Fe  Fe44  1  0.54283200  0.33717126  0.87369732  1
  Fe  Fe45  1  0.54283200  0.16282874  0.37369732  1
  Fe  Fe46  1  0.95716800  0.66282874  0.37369732  1
  Fe  Fe47  1  0.95716800  0.83717126  0.87369732  1
  S  S48  1  0.05950230  0.81182301  0.12390347  1
  S  S49  1  0.05950230  0.68817699  0.62390347  1
  S  S50  1  0.13785653  0.19426603  0.53456018  1
  S  S51  1  0.13785653  0.30573397  0.03456018  1
  S  S52  1  0.13844187  0.26383792  0.22272279  1
  S  S53  1  0.13844187  0.23616208  0.72272279  1
  S  S54  1  0.15051694  0.75734864  0.37779259  1
  S  S55  1  0.15051694  0.74265136  0.87779259  1
  S  S56  1  0.34948306  0.24265136  0.87779259  1
  S  S57  1  0.34948306  0.25734864  0.37779259  1
  S  S58  1  0.36155813  0.76383792  0.22272279  1
  S  S59  1  0.36155813  0.73616208  0.72272279  1
  S  S60  1  0.36214347  0.80573397  0.03456018  1
  S  S61  1  0.36214347  0.69426603  0.53456018  1
  S  S62  1  0.44049770  0.31182301  0.12390347  1
  S  S63  1  0.44049770  0.18817699  0.62390347  1
  S  S64  1  0.55950230  0.68817699  0.87609653  1
  S  S65  1  0.55950230  0.81182301  0.37609653  1
  S  S66  1  0.63785653  0.19426603  0.96543982  1
  S  S67  1  0.63785653  0.30573397  0.46543982  1
  S  S68  1  0.63844187  0.26383792  0.27727721  1
  S  S69  1  0.63844187  0.23616208  0.77727721  1
  S  S70  1  0.65051694  0.75734864  0.12220741  1
  S  S71  1  0.65051694  0.74265136  0.62220741  1
  S  S72  1  0.84948306  0.24265136  0.62220741  1
  S  S73  1  0.84948306  0.25734864  0.12220741  1
  S  S74  1  0.86155813  0.76383792  0.27727721  1
  S  S75  1  0.86155813  0.73616208  0.77727721  1
  S  S76  1  0.86214347  0.80573397  0.46543982  1
  S  S77  1  0.86214347  0.69426603  0.96543982  1
  S  S78  1  0.94049770  0.31182301  0.37609653  1
  S  S79  1  0.94049770  0.18817699  0.87609653  1
