# generated using pymatgen data_SiNiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05198200 _cell_length_b 10.17212900 _cell_length_c 12.57702400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNiN2 _chemical_formula_sum 'Si16 Ni16 N32' _cell_volume 646.32587574 _cell_formula_units_Z 16 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 0.63898400 0.03721600 0.18637300 1.0 Si Si1 1 0.13898400 0.46278400 0.81362700 1.0 Si Si2 1 0.36101600 0.53721600 0.31362700 1.0 Si Si3 1 0.86101600 0.96278400 0.68637300 1.0 Si Si4 1 0.36101600 0.96278400 0.81362700 1.0 Si Si5 1 0.86101600 0.53721600 0.18637300 1.0 Si Si6 1 0.63898400 0.46278400 0.68637300 1.0 Si Si7 1 0.13898400 0.03721600 0.31362700 1.0 Si Si8 1 0.78697000 0.28968900 0.06115400 1.0 Si Si9 1 0.28697000 0.21031100 0.93884600 1.0 Si Si10 1 0.21303000 0.78968900 0.43884600 1.0 Si Si11 1 0.71303000 0.71031100 0.56115400 1.0 Si Si12 1 0.21303000 0.71031100 0.93884600 1.0 Si Si13 1 0.71303000 0.78968900 0.06115400 1.0 Si Si14 1 0.78697000 0.21031100 0.56115400 1.0 Si Si15 1 0.28697000 0.28968900 0.43884600 1.0 Ni Ni16 1 0.67007000 0.95180000 0.44254800 1.0 Ni Ni17 1 0.17007000 0.54820000 0.55745200 1.0 Ni Ni18 1 0.32993000 0.45180000 0.05745200 1.0 Ni Ni19 1 0.82993000 0.04820000 0.94254800 1.0 Ni Ni20 1 0.32993000 0.04820000 0.55745200 1.0 Ni Ni21 1 0.82993000 0.45180000 0.44254800 1.0 Ni Ni22 1 0.67007000 0.54820000 0.94254800 1.0 Ni Ni23 1 0.17007000 0.95180000 0.05745200 1.0 Ni Ni24 1 0.79009900 0.29206200 0.30402800 1.0 Ni Ni25 1 0.29009900 0.20793800 0.69597200 1.0 Ni Ni26 1 0.20990100 0.79206200 0.19597200 1.0 Ni Ni27 1 0.70990100 0.70793800 0.80402800 1.0 Ni Ni28 1 0.20990100 0.70793800 0.69597200 1.0 Ni Ni29 1 0.70990100 0.79206200 0.30402800 1.0 Ni Ni30 1 0.79009900 0.20793800 0.80402800 1.0 Ni Ni31 1 0.29009900 0.29206200 0.19597200 1.0 N N32 1 0.68690000 0.48500300 0.29848800 1.0 N N33 1 0.18690000 0.01499700 0.70151200 1.0 N N34 1 0.31310000 0.98500300 0.20151200 1.0 N N35 1 0.81310000 0.51499700 0.79848800 1.0 N N36 1 0.31310000 0.51499700 0.70151200 1.0 N N37 1 0.81310000 0.98500300 0.29848800 1.0 N N38 1 0.68690000 0.01499700 0.79848800 1.0 N N39 1 0.18690000 0.48500300 0.20151200 1.0 N N40 1 0.63106700 0.27555600 0.44941700 1.0 N N41 1 0.13106700 0.22444400 0.55058300 1.0 N N42 1 0.36893300 0.77555600 0.05058300 1.0 N N43 1 0.86893300 0.72444400 0.94941700 1.0 N N44 1 0.36893300 0.72444400 0.55058300 1.0 N N45 1 0.86893300 0.77555600 0.44941700 1.0 N N46 1 0.63106700 0.22444400 0.94941700 1.0 N N47 1 0.13106700 0.27555600 0.05058300 1.0 N N48 1 0.72399200 0.45822300 0.07585200 1.0 N N49 1 0.22399200 0.04177700 0.92414800 1.0 N N50 1 0.27600800 0.95822300 0.42414800 1.0 N N51 1 0.77600800 0.54177700 0.57585200 1.0 N N52 1 0.27600800 0.54177700 0.92414800 1.0 N N53 1 0.77600800 0.95822300 0.07585200 1.0 N N54 1 0.72399200 0.04177700 0.57585200 1.0 N N55 1 0.22399200 0.45822300 0.42414800 1.0 N N56 1 0.65324400 0.20852900 0.17299100 1.0 N N57 1 0.15324400 0.29147100 0.82700900 1.0 N N58 1 0.34675600 0.70852900 0.32700900 1.0 N N59 1 0.84675600 0.79147100 0.67299100 1.0 N N60 1 0.34675600 0.79147100 0.82700900 1.0 N N61 1 0.84675600 0.70852900 0.17299100 1.0 N N62 1 0.65324400 0.29147100 0.67299100 1.0 N N63 1 0.15324400 0.20852900 0.32700900 1.0