# generated using pymatgen data_FeNi35S32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.85003332 _cell_length_b 11.85003332 _cell_length_c 11.85003332 _cell_angle_alpha 134.01093463 _cell_angle_beta 123.79552171 _cell_angle_gamma 75.46174814 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi35S32 _chemical_formula_sum 'Fe1 Ni35 S32' _cell_volume 968.68136408 _cell_formula_units_Z 1 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 0.00000000 0.50000000 0.50000000 1.0 Ni Ni1 1 0.40012800 0.68710300 0.46122500 1.0 Ni Ni2 1 0.89982100 0.18731600 0.46121800 1.0 Ni Ni3 1 0.22587800 0.93890300 0.53877500 1.0 Ni Ni4 1 0.72609800 0.43860300 0.53878200 1.0 Ni Ni5 1 0.10017900 0.56139700 0.28749500 1.0 Ni Ni6 1 0.59987200 0.06109700 0.28697500 1.0 Ni Ni7 1 0.27390200 0.81268400 0.71250500 1.0 Ni Ni8 1 0.77412200 0.31289700 0.71302500 1.0 Ni Ni9 1 0.98649400 0.75012700 0.23646700 1.0 Ni Ni10 1 0.48634000 0.24987300 0.23636700 1.0 Ni Ni11 1 0.51366000 0.75002700 0.76353300 1.0 Ni Ni12 1 0.01350600 0.24997300 0.76363300 1.0 Ni Ni13 1 0.11416800 0.61430500 0.99999700 1.0 Ni Ni14 1 0.61430800 0.11417100 0.00000300 1.0 Ni Ni15 1 0.88583200 0.88582900 0.50013700 1.0 Ni Ni16 1 0.38569200 0.38569500 0.49986300 1.0 Ni Ni17 1 0.00000000 0.77688000 0.77688000 1.0 Ni Ni18 1 0.50000000 0.27814400 0.77814400 1.0 Ni Ni19 1 0.50000000 0.72185600 0.22185600 1.0 Ni Ni20 1 0.00000000 0.22312000 0.22312000 1.0 Ni Ni21 1 0.39207700 0.39207700 0.00000000 1.0 Ni Ni22 1 0.89202500 0.89202500 0.00000000 1.0 Ni Ni23 1 0.10797500 0.10797500 0.00000000 1.0 Ni Ni24 1 0.60792300 0.60792300 0.00000000 1.0 Ni Ni25 1 0.25004300 0.25004300 0.00000000 1.0 Ni Ni26 1 0.74995700 0.74995700 0.00000000 1.0 Ni Ni27 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni28 1 0.62376400 0.56644500 0.31218800 1.0 Ni Ni29 1 0.12419300 0.06569600 0.31185600 1.0 Ni Ni30 1 0.25425700 0.31157600 0.68781200 1.0 Ni Ni31 1 0.75383900 0.81233700 0.68814400 1.0 Ni Ni32 1 0.87580700 0.18766300 0.94150300 1.0 Ni Ni33 1 0.37623600 0.68842400 0.94268100 1.0 Ni Ni34 1 0.24616100 0.93430400 0.05849700 1.0 Ni Ni35 1 0.74574300 0.43355500 0.05731900 1.0 S S36 1 0.43606300 0.45265900 0.24939200 1.0 S S37 1 0.93607300 0.95290300 0.24948100 1.0 S S38 1 0.20326700 0.18667100 0.75060800 1.0 S S39 1 0.70342200 0.68659200 0.75051900 1.0 S S40 1 0.06392700 0.31340800 0.01683000 1.0 S S41 1 0.56393700 0.81332900 0.01659600 1.0 S S42 1 0.29657800 0.04709700 0.98317000 1.0 S S43 1 0.79673300 0.54734100 0.98340400 1.0 S S44 1 0.18675600 0.68745100 0.25989400 1.0 S S45 1 0.68703000 0.18768200 0.26026800 1.0 S S46 1 0.42755800 0.92686200 0.74010600 1.0 S S47 1 0.92741300 0.42676100 0.73973200 1.0 S S48 1 0.31297000 0.57323900 0.50065200 1.0 S S49 1 0.81324400 0.07313800 0.50069500 1.0 S S50 1 0.07258700 0.81231800 0.49934800 1.0 S S51 1 0.57244200 0.31254900 0.49930500 1.0 S S52 1 0.78863900 0.05766600 0.96582400 1.0 S S53 1 0.28815900 0.55764200 0.96532900 1.0 S S54 1 0.09184200 0.82281500 0.03417600 1.0 S S55 1 0.59231300 0.32283000 0.03467100 1.0 S S56 1 0.71184100 0.67717000 0.26948400 1.0 S S57 1 0.21136100 0.17718500 0.26902700 1.0 S S58 1 0.40768700 0.44235800 0.73051600 1.0 S S59 1 0.90815800 0.94233400 0.73097300 1.0 S S60 1 0.54889900 0.79932900 0.48322000 1.0 S S61 1 0.04789600 0.30420800 0.48452700 1.0 S S62 1 0.31610900 0.06567900 0.51678000 1.0 S S63 1 0.81968200 0.56336900 0.51547300 1.0 S S64 1 0.95210400 0.43663100 0.25631200 1.0 S S65 1 0.45110100 0.93432100 0.25043000 1.0 S S66 1 0.18031800 0.69579200 0.74368800 1.0 S S67 1 0.68389100 0.20067100 0.74957000 1.0