# generated using pymatgen data_Nd(Hf5Bi6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81303004 _cell_length_b 10.81303004 _cell_length_c 7.61221641 _cell_angle_alpha 90.00006547 _cell_angle_beta 90.00006547 _cell_angle_gamma 90.00025105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Hf5Bi6)3 _chemical_formula_sum 'Nd1 Hf15 Bi18' _cell_volume 890.03266463 _cell_formula_units_Z 1 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 0.75000103 0.75000103 0.07726394 1.0 Hf Hf1 1 0.00076722 0.00076722 0.00023848 1.0 Hf Hf2 1 0.49923294 0.00076750 0.00024150 1.0 Hf Hf3 1 0.00076750 0.49923294 0.00024150 1.0 Hf Hf4 1 0.49923356 0.49923356 0.00024719 1.0 Hf Hf5 1 0.75000519 0.10514322 0.15465935 1.0 Hf Hf6 1 0.75000454 0.39484746 0.15466231 1.0 Hf Hf7 1 0.10514322 0.75000519 0.15465935 1.0 Hf Hf8 1 0.39484746 0.75000454 0.15466231 1.0 Hf Hf9 1 0.24999841 0.24999841 0.43268398 1.0 Hf Hf10 1 0.75000469 0.75000469 0.56421226 1.0 Hf Hf11 1 0.60430617 0.24999779 0.84424065 1.0 Hf Hf12 1 0.89570645 0.24999752 0.84424334 1.0 Hf Hf13 1 0.24999779 0.60430617 0.84424065 1.0 Hf Hf14 1 0.24999752 0.89570645 0.84424334 1.0 Hf Hf15 1 0.24997968 0.24997968 0.92567411 1.0 Bi Bi16 1 0.25000463 0.01644288 0.19364621 1.0 Bi Bi17 1 0.01644288 0.25000463 0.19364621 1.0 Bi Bi18 1 0.48355492 0.25000609 0.19362363 1.0 Bi Bi19 1 0.25000609 0.48355492 0.19362363 1.0 Bi Bi20 1 0.57962247 0.57962247 0.35512360 1.0 Bi Bi21 1 0.92039206 0.57961747 0.35513463 1.0 Bi Bi22 1 0.92039721 0.92039721 0.35514368 1.0 Bi Bi23 1 0.57961747 0.92039206 0.35513463 1.0 Bi Bi24 1 0.75001178 0.24998827 0.49730746 1.0 Bi Bi25 1 0.24998827 0.75001178 0.49730746 1.0 Bi Bi26 1 0.41448781 0.08550056 0.65194075 1.0 Bi Bi27 1 0.08549460 0.08549460 0.65192763 1.0 Bi Bi28 1 0.08550056 0.41448781 0.65194075 1.0 Bi Bi29 1 0.41448305 0.41448305 0.65195819 1.0 Bi Bi30 1 0.75000276 0.51004707 0.80154420 1.0 Bi Bi31 1 0.51004707 0.75000276 0.80154420 1.0 Bi Bi32 1 0.98994789 0.75000209 0.80152644 1.0 Bi Bi33 1 0.75000209 0.98994789 0.80152644 1.0