# generated using pymatgen data_Ca5(RuN3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99257759 _cell_length_b 5.99257759 _cell_length_c 12.61936195 _cell_angle_alpha 79.33731393 _cell_angle_beta 79.33731393 _cell_angle_gamma 65.37527741 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5(RuN3)2 _chemical_formula_sum 'Ca10 Ru4 N12' _cell_volume 401.88189469 _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 Ca Ca0 1 0.37398300 0.62601700 0.75000000 1.0 Ca Ca1 1 0.62601700 0.37398300 0.25000000 1.0 Ca Ca2 1 0.80310300 0.32208200 0.49963900 1.0 Ca Ca3 1 0.67791800 0.19689700 0.00036100 1.0 Ca Ca4 1 0.19689700 0.67791800 0.50036100 1.0 Ca Ca5 1 0.32208200 0.80310300 0.99963900 1.0 Ca Ca6 1 0.04868200 0.27011500 0.78090900 1.0 Ca Ca7 1 0.72988500 0.95131800 0.71909100 1.0 Ca Ca8 1 0.95131800 0.72988500 0.21909100 1.0 Ca Ca9 1 0.27011500 0.04868200 0.28090900 1.0 Ru Ru10 1 0.86205500 0.67812300 0.94136100 1.0 Ru Ru11 1 0.32187700 0.13794500 0.55863900 1.0 Ru Ru12 1 0.13794500 0.32187700 0.05863900 1.0 Ru Ru13 1 0.67812300 0.86205500 0.44136100 1.0 N N14 1 0.67643000 0.60816100 0.85404000 1.0 N N15 1 0.39183900 0.32357000 0.64596000 1.0 N N16 1 0.32357000 0.39183900 0.14596000 1.0 N N17 1 0.60816100 0.67643000 0.35404000 1.0 N N18 1 0.26314400 0.32628400 0.91313600 1.0 N N19 1 0.67371600 0.73685600 0.58686400 1.0 N N20 1 0.73685600 0.67371600 0.08686400 1.0 N N21 1 0.32628400 0.26314400 0.41313600 1.0 N N22 1 0.99133500 0.91633800 0.87383200 1.0 N N23 1 0.08366200 0.00866500 0.62616800 1.0 N N24 1 0.00866500 0.08366200 0.12616800 1.0 N N25 1 0.91633800 0.99133500 0.37383200 1.0