# generated using pymatgen data_Sr6Cu3N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64558738 _cell_length_b 8.64558738 _cell_length_c 7.33400003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Cu3N5 _chemical_formula_sum 'Sr12 Cu6 N10' _cell_volume 548.18849476 _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 0.00000000 -0.00000000 0.50335244 1.0 Sr Sr1 1 0.00000000 -0.00000000 0.00335244 1.0 Sr Sr2 1 0.00000000 0.50000000 0.02357540 1.0 Sr Sr3 1 0.50000000 -0.00000000 0.52357540 1.0 Sr Sr4 1 0.26652117 0.30372291 0.71083821 1.0 Sr Sr5 1 0.73347883 0.69627709 0.71083821 1.0 Sr Sr6 1 0.69627709 0.26652117 0.21083821 1.0 Sr Sr7 1 0.30372291 0.73347883 0.21083821 1.0 Sr Sr8 1 0.69627709 0.73347883 0.21083821 1.0 Sr Sr9 1 0.73347883 0.30372291 0.71083821 1.0 Sr Sr10 1 0.26652117 0.69627709 0.71083821 1.0 Sr Sr11 1 0.30372291 0.26652117 0.21083821 1.0 Cu Cu12 1 0.50000000 0.50000000 0.97234898 1.0 Cu Cu13 1 0.50000000 0.50000000 0.47234898 1.0 Cu Cu14 1 0.00000000 0.35973661 0.43315191 1.0 Cu Cu15 1 0.35973661 -0.00000000 0.93315191 1.0 Cu Cu16 1 0.64026339 -0.00000000 0.93315191 1.0 Cu Cu17 1 0.00000000 0.64026339 0.43315191 1.0 N N18 1 0.00000000 0.50000000 0.63070840 1.0 N N19 1 0.50000000 -0.00000000 0.13070840 1.0 N N20 1 0.00000000 0.77962516 0.24128429 1.0 N N21 1 0.77962516 -0.00000000 0.74128429 1.0 N N22 1 0.22037484 -0.00000000 0.74128429 1.0 N N23 1 0.00000000 0.22037484 0.24128429 1.0 N N24 1 0.50000000 0.71225204 0.48404478 1.0 N N25 1 0.71225204 0.50000000 0.98404478 1.0 N N26 1 0.28774796 0.50000000 0.98404478 1.0 N N27 1 0.50000000 0.28774796 0.48404478 1.0