# generated using pymatgen
data_FeNi35S32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25827252
_cell_length_b   11.16383041
_cell_length_c   18.74423824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi35S32
_chemical_formula_sum   'Fe2 Ni70 S64'
_cell_volume   1937.36293293
_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
  Fe  Fe0  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni2  1  0.37410000  0.08712500  0.31300300  1
  Ni  Ni3  1  0.87435600  0.58686100  0.31295900  1
  Ni  Ni4  1  0.62590000  0.91287500  0.31300300  1
  Ni  Ni5  1  0.12564400  0.41313900  0.31295900  1
  Ni  Ni6  1  0.37435600  0.91313900  0.18704100  1
  Ni  Ni7  1  0.87410000  0.41287500  0.18699700  1
  Ni  Ni8  1  0.62564400  0.08686100  0.18704100  1
  Ni  Ni9  1  0.12590000  0.58712500  0.18699700  1
  Ni  Ni10  1  0.50005000  0.73641700  0.25007700  1
  Ni  Ni11  1  0.99995000  0.23641700  0.24992300  1
  Ni  Ni12  1  0.49995000  0.26358300  0.25007700  1
  Ni  Ni13  1  0.00005000  0.76358300  0.24992300  1
  Ni  Ni14  1  0.25006700  0.74993000  0.36423800  1
  Ni  Ni15  1  0.74993300  0.25007000  0.36423800  1
  Ni  Ni16  1  0.75006700  0.75007000  0.13576200  1
  Ni  Ni17  1  0.24993300  0.24993000  0.13576200  1
  Ni  Ni18  1  0.77688000  0.00000000  0.00000000  1
  Ni  Ni19  1  0.27814400  0.50000000  0.00000000  1
  Ni  Ni20  1  0.72185600  0.50000000  0.00000000  1
  Ni  Ni21  1  0.22312000  0.00000000  0.00000000  1
  Ni  Ni22  1  0.00000000  0.00000000  0.39207700  1
  Ni  Ni23  1  0.50000000  0.50000000  0.39202500  1
  Ni  Ni24  1  0.00000000  0.00000000  0.10797500  1
  Ni  Ni25  1  0.50000000  0.50000000  0.10792300  1
  Ni  Ni26  1  0.00000000  0.00000000  0.25004300  1
  Ni  Ni27  1  0.50000000  0.50000000  0.24995700  1
  Ni  Ni28  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni29  1  0.12743400  0.18475300  0.43901000  1
  Ni  Ni30  1  0.62668000  0.68517700  0.43901600  1
  Ni  Ni31  1  0.87256600  0.81524700  0.43901000  1
  Ni  Ni32  1  0.37332000  0.31482300  0.43901600  1
  Ni  Ni33  1  0.12668000  0.81482300  0.06098400  1
  Ni  Ni34  1  0.62743400  0.31524700  0.06099000  1
  Ni  Ni35  1  0.87332000  0.18517700  0.06098400  1
  Ni  Ni36  1  0.37256600  0.68475300  0.06099000  1
  Ni  Ni37  1  0.87410000  0.58712500  0.81300300  1
  Ni  Ni38  1  0.37435600  0.08686100  0.81295900  1
  Ni  Ni39  1  0.12590000  0.41287500  0.81300300  1
  Ni  Ni40  1  0.62564400  0.91313900  0.81295900  1
  Ni  Ni41  1  0.87435600  0.41313900  0.68704100  1
  Ni  Ni42  1  0.37410000  0.91287500  0.68699700  1
  Ni  Ni43  1  0.12564400  0.58686100  0.68704100  1
  Ni  Ni44  1  0.62590000  0.08712500  0.68699700  1
  Ni  Ni45  1  0.00005000  0.23641700  0.75007700  1
  Ni  Ni46  1  0.49995000  0.73641700  0.74992300  1
  Ni  Ni47  1  0.99995000  0.76358300  0.75007700  1
  Ni  Ni48  1  0.50005000  0.26358300  0.74992300  1
  Ni  Ni49  1  0.75006700  0.24993000  0.86423800  1
  Ni  Ni50  1  0.24993300  0.75007000  0.86423800  1
  Ni  Ni51  1  0.25006700  0.25007000  0.63576200  1
  Ni  Ni52  1  0.74993300  0.74993000  0.63576200  1
  Ni  Ni53  1  0.27688000  0.50000000  0.50000000  1
  Ni  Ni54  1  0.77814400  0.00000000  0.50000000  1
  Ni  Ni55  1  0.22185600  0.00000000  0.50000000  1
  Ni  Ni56  1  0.72312000  0.50000000  0.50000000  1
  Ni  Ni57  1  0.50000000  0.50000000  0.89207700  1
  Ni  Ni58  1  0.00000000  0.00000000  0.89202500  1
  Ni  Ni59  1  0.50000000  0.50000000  0.60797500  1
  Ni  Ni60  1  0.00000000  0.00000000  0.60792300  1
  Ni  Ni61  1  0.50000000  0.50000000  0.75004300  1
  Ni  Ni62  1  0.00000000  0.00000000  0.74995700  1
  Ni  Ni63  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni64  1  0.62743400  0.68475300  0.93901000  1
  Ni  Ni65  1  0.12668000  0.18517700  0.93901600  1
  Ni  Ni66  1  0.37256600  0.31524700  0.93901000  1
  Ni  Ni67  1  0.87332000  0.81482300  0.93901600  1
  Ni  Ni68  1  0.62668000  0.31482300  0.56098400  1
  Ni  Ni69  1  0.12743400  0.81524700  0.56099000  1
  Ni  Ni70  1  0.37332000  0.68517700  0.56098400  1
  Ni  Ni71  1  0.87256600  0.18475300  0.56099000  1
  S  S72  1  0.13299400  0.11639800  0.31966500  1
  S  S73  1  0.63315500  0.61632600  0.31974700  1
  S  S74  1  0.86700600  0.88360200  0.31966500  1
  S  S75  1  0.36684500  0.38367400  0.31974700  1
  S  S76  1  0.13315500  0.88367400  0.18025300  1
  S  S77  1  0.63299400  0.38360200  0.18033500  1
  S  S78  1  0.86684500  0.11632600  0.18025300  1
  S  S79  1  0.36700600  0.61639800  0.18033500  1
  S  S80  1  0.38029500  0.87959900  0.30715700  1
  S  S81  1  0.88046000  0.37980800  0.30722100  1
  S  S82  1  0.61970500  0.12040100  0.30715700  1
  S  S83  1  0.11954000  0.62019200  0.30722100  1
  S  S84  1  0.38046000  0.12019200  0.19277900  1
  S  S85  1  0.88029500  0.62040100  0.19284300  1
  S  S86  1  0.61954000  0.87980800  0.19277900  1
  S  S87  1  0.11970500  0.37959900  0.19284300  1
  S  S88  1  0.61742600  0.34839900  0.44024100  1
  S  S89  1  0.11740600  0.84792300  0.44023600  1
  S  S90  1  0.38257400  0.65160100  0.44024100  1
  S  S91  1  0.88259400  0.15207700  0.44023600  1
  S  S92  1  0.61740600  0.65207700  0.05976400  1
  S  S93  1  0.11742600  0.15160100  0.05975900  1
  S  S94  1  0.38259400  0.34792300  0.05976400  1
  S  S95  1  0.88257400  0.84839900  0.05975900  1
  S  S96  1  0.36682500  0.11639500  0.43250400  1
  S  S97  1  0.87042000  0.61410700  0.43378900  1
  S  S98  1  0.63317500  0.88360500  0.43250400  1
  S  S99  1  0.12958000  0.38589300  0.43378900  1
  S  S100  1  0.37042000  0.88589300  0.06621100  1
  S  S101  1  0.86682500  0.38360500  0.06749600  1
  S  S102  1  0.62958000  0.11410700  0.06621100  1
  S  S103  1  0.13317500  0.61639500  0.06749600  1
  S  S104  1  0.63299400  0.61639800  0.81966500  1
  S  S105  1  0.13315500  0.11632600  0.81974700  1
  S  S106  1  0.36700600  0.38360200  0.81966500  1
  S  S107  1  0.86684500  0.88367400  0.81974700  1
  S  S108  1  0.63315500  0.38367400  0.68025300  1
  S  S109  1  0.13299400  0.88360200  0.68033500  1
  S  S110  1  0.36684500  0.61632600  0.68025300  1
  S  S111  1  0.86700600  0.11639800  0.68033500  1
  S  S112  1  0.88029500  0.37959900  0.80715700  1
  S  S113  1  0.38046000  0.87980800  0.80722100  1
  S  S114  1  0.11970500  0.62040100  0.80715700  1
  S  S115  1  0.61954000  0.12019200  0.80722100  1
  S  S116  1  0.88046000  0.62019200  0.69277900  1
  S  S117  1  0.38029500  0.12040100  0.69284300  1
  S  S118  1  0.11954000  0.37980800  0.69277900  1
  S  S119  1  0.61970500  0.87959900  0.69284300  1
  S  S120  1  0.11742600  0.84839900  0.94024100  1
  S  S121  1  0.61740600  0.34792300  0.94023600  1
  S  S122  1  0.88257400  0.15160100  0.94024100  1
  S  S123  1  0.38259400  0.65207700  0.94023600  1
  S  S124  1  0.11740600  0.15207700  0.55976400  1
  S  S125  1  0.61742600  0.65160100  0.55975900  1
  S  S126  1  0.88259400  0.84792300  0.55976400  1
  S  S127  1  0.38257400  0.34839900  0.55975900  1
  S  S128  1  0.86682500  0.61639500  0.93250400  1
  S  S129  1  0.37042000  0.11410700  0.93378900  1
  S  S130  1  0.13317500  0.38360500  0.93250400  1
  S  S131  1  0.62958000  0.88589300  0.93378900  1
  S  S132  1  0.87042000  0.38589300  0.56621100  1
  S  S133  1  0.36682500  0.88360500  0.56749600  1
  S  S134  1  0.12958000  0.61410700  0.56621100  1
  S  S135  1  0.63317500  0.11639500  0.56749600  1
