# generated using pymatgen data_Nd2Mg3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.36171261 _cell_length_b 12.36171284 _cell_length_c 3.97513189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000721 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Mg3P12Ru19 _chemical_formula_sum 'Nd2 Mg3 P12 Ru19' _cell_volume 526.06503352 _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 0.66666700 0.33333300 0.00000000 1.0 Nd Nd1 1 0.33333300 0.66666700 0.00000000 1.0 Mg Mg2 1 1.00000000 0.18496174 0.50000000 1.0 Mg Mg3 1 0.81503826 0.81503826 0.50000000 1.0 Mg Mg4 1 0.18496174 1.00000000 0.50000000 1.0 P P5 1 1.00000000 0.82020796 0.00000000 1.0 P P6 1 0.17979204 0.17979204 0.00000000 1.0 P P7 1 0.82020796 1.00000000 0.00000000 1.0 P P8 1 0.70118502 0.16991352 0.50000000 1.0 P P9 1 0.83008648 0.53127050 0.50000000 1.0 P P10 1 0.46872950 0.29881498 0.50000000 1.0 P P11 1 0.16991352 0.70118502 0.50000000 1.0 P P12 1 0.53127050 0.83008648 0.50000000 1.0 P P13 1 0.29881498 0.46872950 0.50000000 1.0 P P14 1 0.00000000 0.38750086 0.00000000 1.0 P P15 1 0.61249914 0.61249914 0.00000000 1.0 P P16 1 0.38750086 0.00000000 0.00000000 1.0 Ru Ru17 1 1.00000000 0.56675724 0.00000000 1.0 Ru Ru18 1 0.43324276 0.43324276 0.00000000 1.0 Ru Ru19 1 0.56675724 1.00000000 0.00000000 1.0 Ru Ru20 1 1.00000000 0.72822098 0.50000000 1.0 Ru Ru21 1 0.27177902 0.27177902 0.50000000 1.0 Ru Ru22 1 0.72822098 1.00000000 0.50000000 1.0 Ru Ru23 1 0.82742827 0.18876058 0.00000000 1.0 Ru Ru24 1 0.81123942 0.63866770 0.00000000 1.0 Ru Ru25 1 0.36133230 0.17257173 0.00000000 1.0 Ru Ru26 1 0.18876058 0.82742827 0.00000000 1.0 Ru Ru27 1 0.63866770 0.81123942 0.00000000 1.0 Ru Ru28 1 0.17257173 0.36133230 0.00000000 1.0 Ru Ru29 1 0.87578069 0.37067107 0.50000000 1.0 Ru Ru30 1 0.62932893 0.50510962 0.50000000 1.0 Ru Ru31 1 0.49489038 0.12421931 0.50000000 1.0 Ru Ru32 1 0.37067107 0.87578069 0.50000000 1.0 Ru Ru33 1 0.50510962 0.62932893 0.50000000 1.0 Ru Ru34 1 0.12421931 0.49489038 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0