# generated using pymatgen data_Sr2C2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.19065465 _cell_length_b 10.19065465 _cell_length_c 6.93190200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000424 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2C2N3 _chemical_formula_sum 'Sr8 C8 N12' _cell_volume 623.42928046 _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 0.33333300 0.66666700 0.75000000 1.0 Sr Sr1 1 0.66666700 0.33333300 0.25000000 1.0 Sr Sr2 1 0.19792400 0.80207600 0.25000000 1.0 Sr Sr3 1 0.19792400 0.39584800 0.25000000 1.0 Sr Sr4 1 0.60415200 0.80207600 0.25000000 1.0 Sr Sr5 1 0.80207600 0.19792400 0.75000000 1.0 Sr Sr6 1 0.80207600 0.60415200 0.75000000 1.0 Sr Sr7 1 0.39584800 0.19792400 0.75000000 1.0 C C8 1 0.50000000 0.50000000 0.50000000 1.0 C C9 1 0.50000000 0.00000000 0.50000000 1.0 C C10 1 0.00000000 0.50000000 0.50000000 1.0 C C11 1 0.50000000 0.50000000 0.00000000 1.0 C C12 1 0.50000000 0.00000000 0.00000000 1.0 C C13 1 0.00000000 0.50000000 0.00000000 1.0 C C14 1 0.00000000 0.00000000 0.25000000 1.0 C C15 1 0.00000000 0.00000000 0.75000000 1.0 N N16 1 0.56933800 0.43066200 0.52895800 1.0 N N17 1 0.56933800 0.13867600 0.52895800 1.0 N N18 1 0.86132400 0.43066200 0.52895800 1.0 N N19 1 0.43066200 0.56933800 0.47104200 1.0 N N20 1 0.43066200 0.86132400 0.47104200 1.0 N N21 1 0.13867600 0.56933800 0.47104200 1.0 N N22 1 0.43066200 0.56933800 0.02895800 1.0 N N23 1 0.43066200 0.86132400 0.02895800 1.0 N N24 1 0.13867600 0.56933800 0.02895800 1.0 N N25 1 0.56933800 0.43066200 0.97104200 1.0 N N26 1 0.56933800 0.13867600 0.97104200 1.0 N N27 1 0.86132400 0.43066200 0.97104200 1.0