# generated using pymatgen data_Nd3Er2P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.49343244 _cell_length_b 12.49343271 _cell_length_c 3.99117421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999668 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Er2P12Ru19 _chemical_formula_sum 'Nd3 Er2 P12 Ru19' _cell_volume 539.50426920 _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 0.00000000 0.18399255 0.50000000 1.0 Nd Nd1 1 0.81600745 0.81600745 0.50000000 1.0 Nd Nd2 1 0.18399255 0.00000000 0.50000000 1.0 Er Er3 1 0.66666700 0.33333300 0.00000000 1.0 Er Er4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 0.00000000 0.81103729 0.00000000 1.0 P P6 1 0.18896271 0.18896271 0.00000000 1.0 P P7 1 0.81103729 0.00000000 0.00000000 1.0 P P8 1 0.69611569 0.17475932 0.50000000 1.0 P P9 1 0.82524068 0.52135638 0.50000000 1.0 P P10 1 0.47864362 0.30388431 0.50000000 1.0 P P11 1 0.17475932 0.69611569 0.50000000 1.0 P P12 1 0.52135638 0.82524068 0.50000000 1.0 P P13 1 0.30388431 0.47864362 0.50000000 1.0 P P14 1 1.00000000 0.37405109 0.00000000 1.0 P P15 1 0.62594891 0.62594891 0.00000000 1.0 P P16 1 0.37405109 1.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.55349302 0.00000000 1.0 Ru Ru18 1 0.44650698 0.44650698 0.00000000 1.0 Ru Ru19 1 0.55349302 0.00000000 0.00000000 1.0 Ru Ru20 1 0.00000000 0.71295125 0.50000000 1.0 Ru Ru21 1 0.28704875 0.28704875 0.50000000 1.0 Ru Ru22 1 0.71295125 0.00000000 0.50000000 1.0 Ru Ru23 1 0.80400870 0.18589756 0.00000000 1.0 Ru Ru24 1 0.81410244 0.61811114 0.00000000 1.0 Ru Ru25 1 0.38188886 0.19599130 0.00000000 1.0 Ru Ru26 1 0.18589756 0.80400870 0.00000000 1.0 Ru Ru27 1 0.61811114 0.81410244 0.00000000 1.0 Ru Ru28 1 0.19599130 0.38188886 0.00000000 1.0 Ru Ru29 1 0.87368179 0.36862553 0.50000000 1.0 Ru Ru30 1 0.63137447 0.50505626 0.50000000 1.0 Ru Ru31 1 0.49494374 0.12631821 0.50000000 1.0 Ru Ru32 1 0.36862553 0.87368179 0.50000000 1.0 Ru Ru33 1 0.50505626 0.63137447 0.50000000 1.0 Ru Ru34 1 0.12631821 0.49494374 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0