# generated using pymatgen data_FeCo16NiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96361300 _cell_length_b 6.96361300 _cell_length_c 9.84424400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCo16NiS16 _chemical_formula_sum 'Fe1 Co16 Ni1 S16' _cell_volume 477.36615482 _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 0.00000000 0.50000000 1.0 Co Co1 1 0.25307700 0.00000000 0.87260100 1.0 Co Co2 1 0.75168100 0.50000000 0.37475900 1.0 Co Co3 1 0.50000000 0.24831900 0.62524100 1.0 Co Co4 1 0.00000000 0.74692300 0.12739900 1.0 Co Co5 1 0.50000000 0.75168100 0.62524100 1.0 Co Co6 1 0.00000000 0.25307700 0.12739900 1.0 Co Co7 1 0.74692300 0.00000000 0.87260100 1.0 Co Co8 1 0.24831900 0.50000000 0.37475900 1.0 Co Co9 1 0.74692300 0.00000000 0.12739900 1.0 Co Co10 1 0.24831900 0.50000000 0.62524100 1.0 Co Co11 1 0.50000000 0.75168100 0.37475900 1.0 Co Co12 1 0.00000000 0.25307700 0.87260100 1.0 Co Co13 1 0.50000000 0.24831900 0.37475900 1.0 Co Co14 1 0.00000000 0.74692300 0.87260100 1.0 Co Co15 1 0.25307700 0.00000000 0.12739900 1.0 Co Co16 1 0.75168100 0.50000000 0.62524100 1.0 Ni Ni17 1 0.50000000 0.50000000 0.00000000 1.0 S S18 1 0.00000000 0.00000000 0.73614500 1.0 S S19 1 0.50000000 0.50000000 0.24262700 1.0 S S20 1 0.76311000 0.76311000 0.50000000 1.0 S S21 1 0.25733900 0.25733900 0.00000000 1.0 S S22 1 0.76311000 0.23689000 0.50000000 1.0 S S23 1 0.25733900 0.74266100 0.00000000 1.0 S S24 1 0.00000000 0.00000000 0.26385500 1.0 S S25 1 0.50000000 0.50000000 0.75737300 1.0 S S26 1 0.23689000 0.23689000 0.50000000 1.0 S S27 1 0.74266100 0.74266100 0.00000000 1.0 S S28 1 0.23689000 0.76311000 0.50000000 1.0 S S29 1 0.74266100 0.25733900 0.00000000 1.0 S S30 1 0.50000000 0.00000000 0.74768700 1.0 S S31 1 0.00000000 0.50000000 0.25231300 1.0 S S32 1 0.50000000 0.00000000 0.25231300 1.0 S S33 1 0.00000000 0.50000000 0.74768700 1.0