# generated using pymatgen data_Si5(NiN4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65233676 _cell_length_b 9.82287301 _cell_length_c 13.60103900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si5(NiN4)2 _chemical_formula_sum 'Si40 Ni16 N64' _cell_volume 1423.16581442 _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 Si Si0 1 0.39011159 0.24107308 0.83362829 1.0 Si Si1 1 0.89011159 0.25892692 0.16637171 1.0 Si Si2 1 0.60988841 0.74107308 0.66637171 1.0 Si Si3 1 0.10988841 0.75892692 0.33362829 1.0 Si Si4 1 0.60988841 0.75892692 0.16637171 1.0 Si Si5 1 0.10988841 0.74107308 0.83362829 1.0 Si Si6 1 0.39011159 0.25892692 0.33362829 1.0 Si Si7 1 0.89011159 0.24107308 0.66637171 1.0 Si Si8 1 0.15167390 0.23942498 0.71590593 1.0 Si Si9 1 0.65167390 0.26057502 0.28409407 1.0 Si Si10 1 0.84832610 0.73942498 0.78409407 1.0 Si Si11 1 0.34832610 0.76057502 0.21590593 1.0 Si Si12 1 0.84832610 0.76057502 0.28409407 1.0 Si Si13 1 0.34832610 0.73942498 0.71590593 1.0 Si Si14 1 0.15167390 0.26057502 0.21590593 1.0 Si Si15 1 0.65167390 0.23942498 0.78409407 1.0 Si Si16 1 0.25452008 0.98679713 0.82612174 1.0 Si Si17 1 0.75452008 0.51320287 0.17387826 1.0 Si Si18 1 0.74547992 0.48679713 0.67387826 1.0 Si Si19 1 0.24547992 0.01320287 0.32612174 1.0 Si Si20 1 0.74547992 0.01320287 0.17387826 1.0 Si Si21 1 0.24547992 0.48679713 0.82612174 1.0 Si Si22 1 0.25452008 0.51320287 0.32612174 1.0 Si Si23 1 0.75452008 0.98679713 0.67387826 1.0 Si Si24 1 0.97667575 0.01184224 0.79924140 1.0 Si Si25 1 0.47667575 0.48815776 0.20075860 1.0 Si Si26 1 0.02332425 0.51184224 0.70075860 1.0 Si Si27 1 0.52332425 0.98815776 0.29924140 1.0 Si Si28 1 0.02332425 0.98815776 0.20075860 1.0 Si Si29 1 0.52332425 0.51184224 0.79924140 1.0 Si Si30 1 0.97667575 0.48815776 0.29924140 1.0 Si Si31 1 0.47667575 0.01184224 0.70075860 1.0 Si Si32 1 0.80013918 0.13690753 0.97552147 1.0 Si Si33 1 0.30013918 0.36309247 0.02447853 1.0 Si Si34 1 0.19986082 0.63690753 0.52447853 1.0 Si Si35 1 0.69986082 0.86309247 0.47552147 1.0 Si Si36 1 0.19986082 0.86309247 0.02447853 1.0 Si Si37 1 0.69986082 0.63690753 0.97552147 1.0 Si Si38 1 0.80013918 0.36309247 0.47552147 1.0 Si Si39 1 0.30013918 0.13690753 0.52447853 1.0 Ni Ni40 1 0.05127642 0.15326476 0.01749879 1.0 Ni Ni41 1 0.55127642 0.34673524 0.98250121 1.0 Ni Ni42 1 0.94872358 0.65326476 0.48250121 1.0 Ni Ni43 1 0.44872358 0.84673524 0.51749879 1.0 Ni Ni44 1 0.94872358 0.84673524 0.98250121 1.0 Ni Ni45 1 0.44872358 0.65326476 0.01749879 1.0 Ni Ni46 1 0.05127642 0.34673524 0.51749879 1.0 Ni Ni47 1 0.55127642 0.15326476 0.48250121 1.0 Ni Ni48 1 0.27654067 0.11253926 0.02689452 1.0 Ni Ni49 1 0.77654067 0.38746074 0.97310548 1.0 Ni Ni50 1 0.72345933 0.61253926 0.47310548 1.0 Ni Ni51 1 0.22345933 0.88746074 0.52689452 1.0 Ni Ni52 1 0.72345933 0.88746074 0.97310548 1.0 Ni Ni53 1 0.22345933 0.61253926 0.02689452 1.0 Ni Ni54 1 0.27654067 0.38746074 0.52689452 1.0 Ni Ni55 1 0.77654067 0.11253926 0.47310548 1.0 N N56 1 0.89298466 0.25811968 0.03770299 1.0 N N57 1 0.39298466 0.24188032 0.96229701 1.0 N N58 1 0.10701534 0.75811968 0.46229701 1.0 N N59 1 0.60701534 0.74188032 0.53770299 1.0 N N60 1 0.10701534 0.74188032 0.96229701 1.0 N N61 1 0.60701534 0.75811968 0.03770299 1.0 N N62 1 0.89298466 0.24188032 0.53770299 1.0 N N63 1 0.39298466 0.25811968 0.46229701 1.0 N N64 1 0.92555493 0.04772173 0.92021855 1.0 N N65 1 0.42555493 0.45227827 0.07978145 1.0 N N66 1 0.07444507 0.54772173 0.57978145 1.0 N N67 1 0.57444507 0.95227827 0.42021855 1.0 N N68 1 0.07444507 0.95227827 0.07978145 1.0 N N69 1 0.57444507 0.54772173 0.92021855 1.0 N N70 1 0.92555493 0.45227827 0.42021855 1.0 N N71 1 0.42555493 0.04772173 0.57978145 1.0 N N72 1 0.69679811 0.24142765 0.90797855 1.0 N N73 1 0.19679811 0.25857235 0.09202145 1.0 N N74 1 0.30320189 0.74142765 0.59202145 1.0 N N75 1 0.80320189 0.75857235 0.40797855 1.0 N N76 1 0.30320189 0.75857235 0.09202145 1.0 N N77 1 0.80320189 0.74142765 0.90797855 1.0 N N78 1 0.69679811 0.25857235 0.40797855 1.0 N N79 1 0.19679811 0.24142765 0.59202145 1.0 N N80 1 0.28747736 0.96400068 0.94788939 1.0 N N81 1 0.78747736 0.53599932 0.05211061 1.0 N N82 1 0.71252264 0.46400068 0.55211061 1.0 N N83 1 0.21252264 0.03599932 0.44788939 1.0 N N84 1 0.71252264 0.03599932 0.05211061 1.0 N N85 1 0.21252264 0.46400068 0.94788939 1.0 N N86 1 0.28747736 0.53599932 0.44788939 1.0 N N87 1 0.78747736 0.96400068 0.55211061 1.0 N N88 1 0.00928989 0.15425488 0.72538582 1.0 N N89 1 0.50928989 0.34574512 0.27461418 1.0 N N90 1 0.99071011 0.65425488 0.77461418 1.0 N N91 1 0.49071011 0.84574512 0.22538582 1.0 N N92 1 0.99071011 0.84574512 0.27461418 1.0 N N93 1 0.49071011 0.65425488 0.72538582 1.0 N N94 1 0.00928989 0.34574512 0.22538582 1.0 N N95 1 0.50928989 0.15425488 0.77461418 1.0 N N96 1 0.36403600 0.90779331 0.75249836 1.0 N N97 1 0.86403600 0.59220669 0.24750164 1.0 N N98 1 0.63596400 0.40779331 0.74750164 1.0 N N99 1 0.13596400 0.09220669 0.25249836 1.0 N N100 1 0.63596400 0.09220669 0.24750164 1.0 N N101 1 0.13596400 0.40779331 0.75249836 1.0 N N102 1 0.36403600 0.59220669 0.25249836 1.0 N N103 1 0.86403600 0.90779331 0.74750164 1.0 N N104 1 0.25467525 0.15912557 0.79426689 1.0 N N105 1 0.75467525 0.34087443 0.20573311 1.0 N N106 1 0.74532475 0.65912557 0.70573311 1.0 N N107 1 0.24532475 0.84087443 0.29426689 1.0 N N108 1 0.74532475 0.84087443 0.20573311 1.0 N N109 1 0.24532475 0.65912557 0.79426689 1.0 N N110 1 0.25467525 0.34087443 0.29426689 1.0 N N111 1 0.75467525 0.15912557 0.70573311 1.0 N N112 1 0.11135566 0.91264991 0.80022614 1.0 N N113 1 0.61135566 0.58735009 0.19977386 1.0 N N114 1 0.88864434 0.41264991 0.69977386 1.0 N N115 1 0.38864434 0.08735009 0.30022614 1.0 N N116 1 0.88864434 0.08735009 0.19977386 1.0 N N117 1 0.38864434 0.41264991 0.80022614 1.0 N N118 1 0.11135566 0.58735009 0.30022614 1.0 N N119 1 0.61135566 0.91264991 0.69977386 1.0