# generated using pymatgen data_Ca5(OsN3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01428077 _cell_length_b 6.01428077 _cell_length_c 12.61305598 _cell_angle_alpha 78.95194107 _cell_angle_beta 78.95194107 _cell_angle_gamma 66.57241019 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5(OsN3)2 _chemical_formula_sum 'Ca10 Os4 N12' _cell_volume 407.47547963 _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 0.38535200 0.61464800 0.75000000 1.0 Ca Ca1 1 0.61464800 0.38535200 0.25000000 1.0 Ca Ca2 1 0.67771900 0.18940300 0.00198100 1.0 Ca Ca3 1 0.81059700 0.32228100 0.49801900 1.0 Ca Ca4 1 0.32228100 0.81059700 0.99801900 1.0 Ca Ca5 1 0.18940300 0.67771900 0.50198100 1.0 Ca Ca6 1 0.73166700 0.94963600 0.71721200 1.0 Ca Ca7 1 0.05036400 0.26833300 0.78278800 1.0 Ca Ca8 1 0.26833300 0.05036400 0.28278800 1.0 Ca Ca9 1 0.94963600 0.73166700 0.21721200 1.0 Os Os10 1 0.31902900 0.14271500 0.55750000 1.0 Os Os11 1 0.85728500 0.68097100 0.94250000 1.0 Os Os12 1 0.68097100 0.85728500 0.44250000 1.0 Os Os13 1 0.14271500 0.31902900 0.05750000 1.0 N N14 1 0.39841000 0.31998800 0.64344900 1.0 N N15 1 0.68001200 0.60159000 0.85655100 1.0 N N16 1 0.60159000 0.68001200 0.35655100 1.0 N N17 1 0.31998800 0.39841000 0.14344900 1.0 N N18 1 0.70522200 0.71609100 0.58812700 1.0 N N19 1 0.28390900 0.29477800 0.91187300 1.0 N N20 1 0.29477800 0.28390900 0.41187300 1.0 N N21 1 0.71609100 0.70522200 0.08812700 1.0 N N22 1 0.08996900 0.00488200 0.62643400 1.0 N N23 1 0.99511800 0.91003100 0.87356600 1.0 N N24 1 0.91003100 0.99511800 0.37356600 1.0 N N25 1 0.00488200 0.08996900 0.12643400 1.0