# generated using pymatgen data_Nd5P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62692714 _cell_length_b 12.62692714 _cell_length_c 4.01418200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P12Ru19 _chemical_formula_sum 'Nd5 P12 Ru19' _cell_volume 554.27209390 _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 0.18430800 0.50000000 1.0 Nd Nd1 1 0.81569200 0.81569200 0.50000000 1.0 Nd Nd2 1 0.18430800 0.00000000 0.50000000 1.0 Nd Nd3 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 0.00000000 0.81326500 0.00000000 1.0 P P6 1 0.18673500 0.18673500 0.00000000 1.0 P P7 1 0.81326500 0.00000000 0.00000000 1.0 P P8 1 0.69358200 0.16992300 0.50000000 1.0 P P9 1 0.83007700 0.52365900 0.50000000 1.0 P P10 1 0.47634100 0.30641800 0.50000000 1.0 P P11 1 0.16992300 0.69358200 0.50000000 1.0 P P12 1 0.52365900 0.83007700 0.50000000 1.0 P P13 1 0.30641800 0.47634100 0.50000000 1.0 P P14 1 0.00000000 0.37426800 0.00000000 1.0 P P15 1 0.62573200 0.62573200 0.00000000 1.0 P P16 1 0.37426800 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.55478400 0.00000000 1.0 Ru Ru18 1 0.44521600 0.44521600 0.00000000 1.0 Ru Ru19 1 0.55478400 0.00000000 0.00000000 1.0 Ru Ru20 1 0.00000000 0.71556600 0.50000000 1.0 Ru Ru21 1 0.28443400 0.28443400 0.50000000 1.0 Ru Ru22 1 0.71556600 0.00000000 0.50000000 1.0 Ru Ru23 1 0.80625900 0.18417900 0.00000000 1.0 Ru Ru24 1 0.81582100 0.62208000 0.00000000 1.0 Ru Ru25 1 0.37792000 0.19374100 0.00000000 1.0 Ru Ru26 1 0.18417900 0.80625900 0.00000000 1.0 Ru Ru27 1 0.62208000 0.81582100 0.00000000 1.0 Ru Ru28 1 0.19374100 0.37792000 0.00000000 1.0 Ru Ru29 1 0.87519100 0.36579100 0.50000000 1.0 Ru Ru30 1 0.63420900 0.50940000 0.50000000 1.0 Ru Ru31 1 0.49060000 0.12480900 0.50000000 1.0 Ru Ru32 1 0.36579100 0.87519100 0.50000000 1.0 Ru Ru33 1 0.50940000 0.63420900 0.50000000 1.0 Ru Ru34 1 0.12480900 0.49060000 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0