# generated using pymatgen data_Sr3(NiN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86012000 _cell_length_b 9.99638900 _cell_length_c 9.44569600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3(NiN2)2 _chemical_formula_sum 'Sr12 Ni8 N16' _cell_volume 553.32924107 _cell_formula_units_Z 4 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 Sr Sr0 1 0.60143100 0.15492700 0.41189500 1.0 Sr Sr1 1 0.89856900 0.84507300 0.41189500 1.0 Sr Sr2 1 0.60143100 0.34507300 0.08810500 1.0 Sr Sr3 1 0.89856900 0.65492700 0.08810500 1.0 Sr Sr4 1 0.39856900 0.84507300 0.58810500 1.0 Sr Sr5 1 0.10143100 0.15492700 0.58810500 1.0 Sr Sr6 1 0.39856900 0.65492700 0.91189500 1.0 Sr Sr7 1 0.10143100 0.34507300 0.91189500 1.0 Sr Sr8 1 0.75000000 0.50000000 0.40279300 1.0 Sr Sr9 1 0.75000000 0.00000000 0.09720700 1.0 Sr Sr10 1 0.25000000 0.50000000 0.59720700 1.0 Sr Sr11 1 0.25000000 0.00000000 0.90279300 1.0 Ni Ni12 1 0.75000000 0.50000000 0.73277100 1.0 Ni Ni13 1 0.75000000 0.00000000 0.76722900 1.0 Ni Ni14 1 0.25000000 0.50000000 0.26722900 1.0 Ni Ni15 1 0.25000000 0.00000000 0.23277100 1.0 Ni Ni16 1 0.64658500 0.25000000 0.75000000 1.0 Ni Ni17 1 0.85341500 0.75000000 0.75000000 1.0 Ni Ni18 1 0.35341500 0.75000000 0.25000000 1.0 Ni Ni19 1 0.14658500 0.25000000 0.25000000 1.0 N N20 1 0.86697800 0.35541900 0.63128700 1.0 N N21 1 0.63302200 0.64458100 0.63128700 1.0 N N22 1 0.86697800 0.14458100 0.86871300 1.0 N N23 1 0.63302200 0.85541900 0.86871300 1.0 N N24 1 0.13302200 0.64458100 0.36871300 1.0 N N25 1 0.36697800 0.35541900 0.36871300 1.0 N N26 1 0.13302200 0.85541900 0.13128700 1.0 N N27 1 0.36697800 0.14458100 0.13128700 1.0 N N28 1 0.50483000 0.40712200 0.82815200 1.0 N N29 1 0.99517000 0.59287800 0.82815200 1.0 N N30 1 0.50483000 0.09287800 0.67184800 1.0 N N31 1 0.99517000 0.90712200 0.67184800 1.0 N N32 1 0.49517000 0.59287800 0.17184800 1.0 N N33 1 0.00483000 0.40712200 0.17184800 1.0 N N34 1 0.49517000 0.90712200 0.32815200 1.0 N N35 1 0.00483000 0.09287800 0.32815200 1.0