# generated using pymatgen data_Nd2B5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29538297 _cell_length_b 7.32766879 _cell_length_c 8.41379154 _cell_angle_alpha 107.17765800 _cell_angle_beta 115.69299980 _cell_angle_gamma 90.00083903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2B5 _chemical_formula_sum 'Nd8 B20' _cell_volume 382.92815333 _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 Nd Nd0 1 0.45133202 0.40085820 0.76235318 1.0 Nd Nd1 1 0.54866798 0.59914180 0.23764682 1.0 Nd Nd2 1 0.94358404 0.27716462 0.76326490 1.0 Nd Nd3 1 0.18030773 0.22281499 0.23673218 1.0 Nd Nd4 1 0.81969227 0.77718501 0.76326782 1.0 Nd Nd5 1 0.68896921 0.09913482 0.23764691 1.0 Nd Nd6 1 0.05641596 0.72283538 0.23673510 1.0 Nd Nd7 1 0.31103079 0.90086518 0.76235309 1.0 B B8 1 0.82861043 0.46034032 0.49970442 1.0 B B9 1 0.32890961 0.03966471 0.50029776 1.0 B B10 1 0.08948081 0.56081188 0.68030126 1.0 B B11 1 0.91051919 0.43918812 0.31969874 1.0 B B12 1 0.90682436 0.90720343 0.49831593 1.0 B B13 1 0.59150070 0.40721207 0.49833209 1.0 B B14 1 0.17138957 0.53965968 0.50029558 1.0 B B15 1 0.67109039 0.96033529 0.49970224 1.0 B B16 1 0.79716005 0.35241699 0.08462778 1.0 B B17 1 0.40849930 0.59278793 0.50166791 1.0 B B18 1 0.40916635 0.93919156 0.31970067 1.0 B B19 1 0.71253286 0.14757769 0.91536962 1.0 B B20 1 0.95941703 0.67013853 0.49758524 1.0 B B21 1 0.04058297 0.32986147 0.50241476 1.0 B B22 1 0.59083365 0.06080844 0.68029933 1.0 B B23 1 0.53818214 0.17014053 0.49759062 1.0 B B24 1 0.28746714 0.85242231 0.08463038 1.0 B B25 1 0.46181786 0.82985947 0.50240938 1.0 B B26 1 0.09317564 0.09279657 0.50168407 1.0 B B27 1 0.20283995 0.64758301 0.91537222 1.0