# generated using pymatgen data_Yb2TaN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18286232 _cell_length_b 6.18286249 _cell_length_c 11.39929867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 125.93894667 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2TaN3 _chemical_formula_sum 'Yb8 Ta4 N12' _cell_volume 352.81804617 _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 Yb Yb0 1 0.53128974 0.46871026 0.64921365 1.0 Yb Yb1 1 0.46871026 0.53128974 0.35078635 1.0 Yb Yb2 1 0.96871026 0.03128974 0.14921365 1.0 Yb Yb3 1 0.03128974 0.96871026 0.85078635 1.0 Yb Yb4 1 0.87516399 0.12483601 0.57944122 1.0 Yb Yb5 1 0.12483601 0.87516399 0.42055878 1.0 Yb Yb6 1 0.62483601 0.37516399 0.07944122 1.0 Yb Yb7 1 0.37516399 0.62483601 0.92055878 1.0 Ta Ta8 1 0.75284640 0.24715360 0.84220411 1.0 Ta Ta9 1 0.24715360 0.75284640 0.15779589 1.0 Ta Ta10 1 0.74715360 0.25284640 0.34220411 1.0 Ta Ta11 1 0.25284640 0.74715360 0.65779589 1.0 N N12 1 0.84301149 0.15698851 0.98328140 1.0 N N13 1 0.15698851 0.84301149 0.01671860 1.0 N N14 1 0.65698851 0.34301149 0.48328140 1.0 N N15 1 0.34301149 0.65698851 0.51671860 1.0 N N16 1 0.57800785 0.42199215 0.86194417 1.0 N N17 1 0.42199215 0.57800785 0.13805583 1.0 N N18 1 0.92199215 0.07800785 0.36194417 1.0 N N19 1 0.07800785 0.92199215 0.63805583 1.0 N N20 1 0.57999862 0.92000138 0.75000000 1.0 N N21 1 0.92000138 0.57999862 0.25000000 1.0 N N22 1 0.42000138 0.07999862 0.25000000 1.0 N N23 1 0.07999862 0.42000138 0.75000000 1.0