# generated using pymatgen data_Nd6RuPtBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.46568123 _cell_length_b 10.46590643 _cell_length_c 10.36958885 _cell_angle_alpha 109.38499256 _cell_angle_beta 109.38646610 _cell_angle_gamma 110.01604021 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6RuPtBr6 _chemical_formula_sum 'Nd12 Ru2 Pt2 Br12' _cell_volume 870.26370934 _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 Nd Nd0 1 0.46907583 0.48994425 0.23173089 1.0 Nd Nd1 1 0.75829236 0.23734963 0.26831334 1.0 Nd Nd2 1 0.76011672 0.01995986 0.49049854 1.0 Nd Nd3 1 0.23037191 0.47051208 0.49048951 1.0 Nd Nd4 1 0.26266232 0.74177081 0.23173297 1.0 Nd Nd5 1 0.02943193 0.26956781 0.00951444 1.0 Nd Nd6 1 0.01003758 0.03097278 0.26832161 1.0 Nd Nd7 1 0.48009726 0.73994265 0.00949413 1.0 Nd Nd8 1 0.48607173 0.23605744 0.47212315 1.0 Nd Nd9 1 0.01453056 0.48541599 0.74994578 1.0 Nd Nd10 1 0.26395013 0.01393677 0.02788093 1.0 Nd Nd11 1 0.23542361 0.26453348 0.74994522 1.0 Ru Ru12 1 0.00077663 0.25076380 0.50152045 1.0 Ru Ru13 1 0.24920893 0.49918875 0.99841733 1.0 Pt Pt14 1 0.24924438 0.25076492 0.25003090 1.0 Pt Pt15 1 0.50079054 0.99926374 0.25002158 1.0 Br Br16 1 0.24998049 0.75849370 0.74407423 1.0 Br Br17 1 0.51439524 0.50590207 0.75588620 1.0 Br Br18 1 0.99044376 0.74573263 0.99622864 1.0 Br Br19 1 0.74149227 0.25000615 0.75589760 1.0 Br Br20 1 0.99406763 0.98558508 0.74409354 1.0 Br Br21 1 0.24952164 0.99427087 0.50379734 1.0 Br Br22 1 0.75429271 0.50952418 0.50377346 1.0 Br Br23 1 0.50575430 0.25049783 0.99620408 1.0 Br Br24 1 0.75671077 0.74332872 0.25001500 1.0 Br Br25 1 0.74413356 0.99413247 0.98822656 1.0 Br Br26 1 0.99323560 0.50668719 0.24999350 1.0 Br Br27 1 0.50589360 0.75589234 0.51182605 1.0