# generated using pymatgen data_Sr3Ni3N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07093241 _cell_length_b 7.37507569 _cell_length_c 8.73803347 _cell_angle_alpha 105.60754390 _cell_angle_beta 112.80101132 _cell_angle_gamma 98.74956171 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Ni3N5 _chemical_formula_sum 'Sr6 Ni6 N10' _cell_volume 332.56499633 _cell_formula_units_Z 2 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 0.74454300 0.41111100 0.61463600 1.0 Sr Sr1 1 0.25545700 0.58888900 0.38536400 1.0 Sr Sr2 1 0.66371000 0.87325100 0.86210500 1.0 Sr Sr3 1 0.33629000 0.12674900 0.13789500 1.0 Sr Sr4 1 0.70662800 0.69390500 0.22137200 1.0 Sr Sr5 1 0.29337200 0.30609500 0.77862800 1.0 Ni Ni6 1 0.88018100 0.33552100 0.97422300 1.0 Ni Ni7 1 0.11981900 0.66447900 0.02577700 1.0 Ni Ni8 1 0.73368400 0.98672800 0.56501400 1.0 Ni Ni9 1 0.26631600 0.01327200 0.43498600 1.0 Ni Ni10 1 0.07728200 0.80850800 0.68104500 1.0 Ni Ni11 1 0.92271800 0.19149200 0.31895500 1.0 N N12 1 0.88073600 0.15056000 0.79060300 1.0 N N13 1 0.11926400 0.84944000 0.20939700 1.0 N N14 1 0.73296200 0.73277400 0.55424700 1.0 N N15 1 0.26703800 0.26722600 0.44575300 1.0 N N16 1 0.74426600 0.53077000 0.91206400 1.0 N N17 1 0.25573400 0.46923000 0.08793600 1.0 N N18 1 0.26764900 0.92474700 0.60460100 1.0 N N19 1 0.73235100 0.07525300 0.39539900 1.0 N N20 1 0.20750100 0.73981800 0.86954200 1.0 N N21 1 0.79249900 0.26018200 0.13045800 1.0