# generated using pymatgen data_Pr11Nd(PBr3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.33601004 _cell_length_b 10.33055289 _cell_length_c 10.33412809 _cell_angle_alpha 109.42628271 _cell_angle_beta 109.49349801 _cell_angle_gamma 109.47948509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr11Nd(PBr3)4 _chemical_formula_sum 'Pr11 Nd1 P4 Br12' _cell_volume 849.58228557 _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 Pr Pr0 1 0.75016213 0.23670282 0.26349234 1.0 Pr Pr1 1 0.75016213 0.01345931 0.48666979 1.0 Pr Pr2 1 0.23656117 0.47312159 0.48657375 1.0 Pr Pr3 1 0.26341881 0.74997082 0.23650323 1.0 Pr Pr4 1 0.02676213 0.26338156 0.01338156 1.0 Pr Pr5 1 0.01370204 0.02705728 0.26350579 1.0 Pr Pr6 1 0.48662673 0.75003386 0.01350430 1.0 Pr Pr7 1 0.48662673 0.23659287 0.47312243 1.0 Pr Pr8 1 0.01370204 0.48664476 0.75019624 1.0 Pr Pr9 1 0.26341881 0.01344799 0.02691557 1.0 Pr Pr10 1 0.23656117 0.26343958 0.74998742 1.0 Nd Nd11 1 0.47151098 0.48575549 0.23575549 1.0 P P12 1 0.25073485 0.25075562 0.25001594 1.0 P P13 1 0.50015660 0.00007880 0.25007880 1.0 P P14 1 0.00004541 0.25002320 0.50002320 1.0 P P15 1 0.25073485 0.49998023 0.00071892 1.0 Br Br16 1 0.25022856 0.75685345 0.74334933 1.0 Br Br17 1 0.51345235 0.50672668 0.75672668 1.0 Br Br18 1 0.98647148 0.74323524 0.99323524 1.0 Br Br19 1 0.74330047 0.24985042 0.75665280 1.0 Br Br20 1 0.99344521 0.98664573 0.74345743 1.0 Br Br21 1 0.25022856 0.99337510 0.50687923 1.0 Br Br22 1 0.75538379 0.51314359 0.50508048 1.0 Br Br23 1 0.50723628 0.25254968 0.99570421 1.0 Br Br24 1 0.75538379 0.74224020 0.25030430 1.0 Br Br25 1 0.74330047 0.99345005 0.98664867 1.0 Br Br26 1 0.99344521 0.50680048 0.24998778 1.0 Br Br27 1 0.50723628 0.75468659 0.51153107 1.0