# generated using pymatgen data_Nd5Mn2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67855889 _cell_length_b 12.79274897 _cell_length_c 3.99682882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.70516436 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Mn2P12Ir17 _chemical_formula_sum 'Nd5 Mn2 P12 Ir17' _cell_volume 563.07023478 _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 0.33164248 0.66362412 0.50000000 1.0 Nd Nd1 1 0.66801735 0.33637588 0.50000000 1.0 Nd Nd2 1 0.00113130 0.80988635 0.00000000 1.0 Nd Nd3 1 0.19124395 0.19011365 0.00000000 1.0 Nd Nd4 1 0.81306027 0.00000000 0.00000000 1.0 Mn Mn5 1 0.99882307 0.44524920 0.50000000 1.0 Mn Mn6 1 0.55357287 0.55475080 0.50000000 1.0 P P7 1 0.99969456 0.63288688 0.50000000 1.0 P P8 1 0.36680768 0.36711312 0.50000000 1.0 P P9 1 0.63950504 1.00000000 0.50000000 1.0 P P10 1 0.51613885 0.68674479 0.00000000 1.0 P P11 1 0.30663480 0.82433929 0.00000000 1.0 P P12 1 0.16656128 0.47944582 0.00000000 1.0 P P13 1 0.48229550 0.17566071 0.00000000 1.0 P P14 1 0.68711445 0.52055418 0.00000000 1.0 P P15 1 0.82939406 0.31325521 0.00000000 1.0 P P16 1 0.99963048 0.17878161 0.50000000 1.0 P P17 1 0.82084887 0.82121839 0.50000000 1.0 P P18 1 0.18132914 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50558509 0.86886190 0.00000000 1.0 Ir Ir20 1 0.12703727 0.63787454 0.00000000 1.0 Ir Ir21 1 0.35846796 0.49217295 0.00000000 1.0 Ir Ir22 1 0.48916473 0.36212546 0.00000000 1.0 Ir Ir23 1 0.86629701 0.50782705 0.00000000 1.0 Ir Ir24 1 0.63672320 0.13113810 0.00000000 1.0 Ir Ir25 1 0.46131397 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99671002 0.28260616 0.00000000 1.0 Ir Ir27 1 0.71410386 0.71739384 0.00000000 1.0 Ir Ir28 1 0.28845339 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62081649 0.80466818 0.50000000 1.0 Ir Ir30 1 0.20434239 0.82429259 0.50000000 1.0 Ir Ir31 1 0.17693339 0.37368864 0.50000000 1.0 Ir Ir32 1 0.38004980 0.17570741 0.50000000 1.0 Ir Ir33 1 0.80324476 0.62631136 0.50000000 1.0 Ir Ir34 1 0.81614731 0.19533182 0.50000000 1.0 Ir Ir35 1 0.00116034 1.00000000 0.50000000 1.0