# generated using pymatgen data_Sr(CrN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53161653 _cell_length_b 10.53161653 _cell_length_c 10.53161653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(CrN2)2 _chemical_formula_sum 'Sr12 Cr24 N48' _cell_volume 1168.11368646 _cell_formula_units_Z 12 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 0.50000000 0.50000000 -0.00000000 1.0 Sr Sr1 1 0.50000000 0.00000000 0.50000000 1.0 Sr Sr2 1 0.00000000 0.50000000 0.50000000 1.0 Sr Sr3 1 0.00000000 0.00000000 -0.00000000 1.0 Sr Sr4 1 0.12576377 0.87423623 0.37423623 1.0 Sr Sr5 1 0.87423623 0.37423623 0.12576377 1.0 Sr Sr6 1 0.37423623 0.12576377 0.87423623 1.0 Sr Sr7 1 0.62576377 0.62576377 0.62576377 1.0 Sr Sr8 1 0.87423623 0.12576377 0.62576377 1.0 Sr Sr9 1 0.12576377 0.62576377 0.87423623 1.0 Sr Sr10 1 0.62576377 0.87423623 0.12576377 1.0 Sr Sr11 1 0.37423623 0.37423623 0.37423623 1.0 Cr Cr12 1 0.38375883 0.69623577 0.35334070 1.0 Cr Cr13 1 0.61624117 0.19623577 0.14665930 1.0 Cr Cr14 1 0.11624117 0.30376423 0.85334070 1.0 Cr Cr15 1 0.88375883 0.80376423 0.64665930 1.0 Cr Cr16 1 0.35334070 0.38375883 0.69623577 1.0 Cr Cr17 1 0.14665930 0.61624117 0.19623577 1.0 Cr Cr18 1 0.85334070 0.11624117 0.30376423 1.0 Cr Cr19 1 0.64665930 0.88375883 0.80376423 1.0 Cr Cr20 1 0.69623577 0.35334070 0.38375883 1.0 Cr Cr21 1 0.19623577 0.14665930 0.61624117 1.0 Cr Cr22 1 0.30376423 0.85334070 0.11624117 1.0 Cr Cr23 1 0.80376423 0.64665930 0.88375883 1.0 Cr Cr24 1 0.61624117 0.30376423 0.64665930 1.0 Cr Cr25 1 0.38375883 0.80376423 0.85334070 1.0 Cr Cr26 1 0.88375883 0.69623577 0.14665930 1.0 Cr Cr27 1 0.11624117 0.19623577 0.35334070 1.0 Cr Cr28 1 0.64665930 0.61624117 0.30376423 1.0 Cr Cr29 1 0.85334070 0.38375883 0.80376423 1.0 Cr Cr30 1 0.14665930 0.88375883 0.69623577 1.0 Cr Cr31 1 0.35334070 0.11624117 0.19623577 1.0 Cr Cr32 1 0.30376423 0.64665930 0.61624117 1.0 Cr Cr33 1 0.80376423 0.85334070 0.38375883 1.0 Cr Cr34 1 0.69623577 0.14665930 0.88375883 1.0 Cr Cr35 1 0.19623577 0.35334070 0.11624117 1.0 N N36 1 0.37042721 0.84382869 0.27098765 1.0 N N37 1 0.62957279 0.34382869 0.22901235 1.0 N N38 1 0.12957279 0.15617131 0.77098765 1.0 N N39 1 0.87042721 0.65617131 0.72901235 1.0 N N40 1 0.27098765 0.37042721 0.84382869 1.0 N N41 1 0.22901235 0.62957279 0.34382869 1.0 N N42 1 0.77098765 0.12957279 0.15617131 1.0 N N43 1 0.72901235 0.87042721 0.65617131 1.0 N N44 1 0.84382869 0.27098765 0.37042721 1.0 N N45 1 0.34382869 0.22901235 0.62957279 1.0 N N46 1 0.15617131 0.77098765 0.12957279 1.0 N N47 1 0.65617131 0.72901235 0.87042721 1.0 N N48 1 0.62957279 0.15617131 0.72901235 1.0 N N49 1 0.37042721 0.65617131 0.77098765 1.0 N N50 1 0.87042721 0.84382869 0.22901235 1.0 N N51 1 0.12957279 0.34382869 0.27098765 1.0 N N52 1 0.72901235 0.62957279 0.15617131 1.0 N N53 1 0.77098765 0.37042721 0.65617131 1.0 N N54 1 0.22901235 0.87042721 0.84382869 1.0 N N55 1 0.27098765 0.12957279 0.34382869 1.0 N N56 1 0.15617131 0.72901235 0.62957279 1.0 N N57 1 0.65617131 0.77098765 0.37042721 1.0 N N58 1 0.84382869 0.22901235 0.87042721 1.0 N N59 1 0.34382869 0.27098765 0.12957279 1.0 N N60 1 0.41963747 0.72572817 0.51532364 1.0 N N61 1 0.58036253 0.22572817 0.98467636 1.0 N N62 1 0.08036253 0.27427183 0.01532364 1.0 N N63 1 0.91963747 0.77427183 0.48467636 1.0 N N64 1 0.51532364 0.41963747 0.72572817 1.0 N N65 1 0.98467636 0.58036253 0.22572817 1.0 N N66 1 0.01532364 0.08036253 0.27427183 1.0 N N67 1 0.48467636 0.91963747 0.77427183 1.0 N N68 1 0.72572817 0.51532364 0.41963747 1.0 N N69 1 0.22572817 0.98467636 0.58036253 1.0 N N70 1 0.27427183 0.01532364 0.08036253 1.0 N N71 1 0.77427183 0.48467636 0.91963747 1.0 N N72 1 0.58036253 0.27427183 0.48467636 1.0 N N73 1 0.41963747 0.77427183 0.01532364 1.0 N N74 1 0.91963747 0.72572817 0.98467636 1.0 N N75 1 0.08036253 0.22572817 0.51532364 1.0 N N76 1 0.48467636 0.58036253 0.27427183 1.0 N N77 1 0.01532364 0.41963747 0.77427183 1.0 N N78 1 0.98467636 0.91963747 0.72572817 1.0 N N79 1 0.51532364 0.08036253 0.22572817 1.0 N N80 1 0.27427183 0.48467636 0.58036253 1.0 N N81 1 0.77427183 0.01532364 0.41963747 1.0 N N82 1 0.72572817 0.98467636 0.91963747 1.0 N N83 1 0.22572817 0.51532364 0.08036253 1.0