# generated using pymatgen data_Tb2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55468161 _cell_length_b 9.55468161 _cell_length_c 9.55468161 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2N3 _chemical_formula_sum 'Tb16 N24' _cell_volume 671.47023867 _cell_formula_units_Z 8 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 Tb Tb0 1 0.50000000 0.00000000 0.50000000 1.0 Tb Tb1 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb2 1 0.00000000 0.50000000 0.50000000 1.0 Tb Tb3 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb4 1 0.78000700 0.25000000 0.03000700 1.0 Tb Tb5 1 0.71999300 0.75000000 0.46999300 1.0 Tb Tb6 1 0.25000000 0.03000700 0.78000700 1.0 Tb Tb7 1 0.75000000 0.46999300 0.71999300 1.0 Tb Tb8 1 0.03000700 0.78000700 0.25000000 1.0 Tb Tb9 1 0.46999300 0.71999300 0.75000000 1.0 Tb Tb10 1 0.21999300 0.75000000 0.96999300 1.0 Tb Tb11 1 0.28000700 0.25000000 0.53000700 1.0 Tb Tb12 1 0.75000000 0.96999300 0.21999300 1.0 Tb Tb13 1 0.25000000 0.53000700 0.28000700 1.0 Tb Tb14 1 0.96999300 0.21999300 0.75000000 1.0 Tb Tb15 1 0.53000700 0.28000700 0.25000000 1.0 N N16 1 0.48994100 0.23015600 0.46300600 1.0 N N17 1 0.23285000 0.26984400 0.75978500 1.0 N N18 1 0.01005900 0.47306500 0.74021500 1.0 N N19 1 0.26715000 0.02693500 0.03699400 1.0 N N20 1 0.23015600 0.46300600 0.48994100 1.0 N N21 1 0.26984400 0.75978500 0.23285000 1.0 N N22 1 0.47306500 0.74021500 0.01005900 1.0 N N23 1 0.02693500 0.03699400 0.26715000 1.0 N N24 1 0.46300600 0.48994100 0.23015600 1.0 N N25 1 0.75978500 0.23285000 0.26984400 1.0 N N26 1 0.74021500 0.01005900 0.47306500 1.0 N N27 1 0.03699400 0.26715000 0.02693500 1.0 N N28 1 0.51005900 0.76984400 0.53699400 1.0 N N29 1 0.76715000 0.73015600 0.24021500 1.0 N N30 1 0.98994100 0.52693500 0.25978500 1.0 N N31 1 0.73285000 0.97306500 0.96300600 1.0 N N32 1 0.76984400 0.53699400 0.51005900 1.0 N N33 1 0.73015600 0.24021500 0.76715000 1.0 N N34 1 0.52693500 0.25978500 0.98994100 1.0 N N35 1 0.97306500 0.96300600 0.73285000 1.0 N N36 1 0.53699400 0.51005900 0.76984400 1.0 N N37 1 0.24021500 0.76715000 0.73015600 1.0 N N38 1 0.25978500 0.98994100 0.52693500 1.0 N N39 1 0.96300600 0.73285000 0.97306500 1.0