# generated using pymatgen data_Nd2P7Ir5Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51869987 _cell_length_b 9.49599476 _cell_length_c 3.90941904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.73072098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2P7Ir5Ru7 _chemical_formula_sum 'Nd2 P7 Ir5 Ru7' _cell_volume 306.85485687 _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 0.00107603 0.99920328 0.00000000 1.0 Nd Nd1 1 0.33268031 0.66898539 0.50000000 1.0 P P2 1 0.78124426 0.73231500 0.50000000 1.0 P P3 1 0.26815695 0.04263609 0.50000000 1.0 P P4 1 0.95208183 0.21676562 0.50000000 1.0 P P5 1 0.66739356 0.33236059 0.00000000 1.0 P P6 1 0.07361792 0.62789528 0.00000000 1.0 P P7 1 0.37694735 0.44901576 0.00000000 1.0 P P8 1 0.54757211 0.93017772 0.00000000 1.0 Ir Ir9 1 0.10981376 0.40086832 0.00000000 1.0 Ir Ir10 1 0.59862402 0.71050812 0.00000000 1.0 Ir Ir11 1 0.05022173 0.77380001 0.50000000 1.0 Ir Ir12 1 0.22165759 0.27147941 0.50000000 1.0 Ir Ir13 1 0.72724465 0.94773696 0.50000000 1.0 Ru Ru14 1 0.28996096 0.89534141 0.00000000 1.0 Ru Ru15 1 0.81838930 0.59989797 0.00000000 1.0 Ru Ru16 1 0.40075681 0.22141349 0.00000000 1.0 Ru Ru17 1 0.78229821 0.17840290 0.00000000 1.0 Ru Ru18 1 0.91132477 0.43465952 0.50000000 1.0 Ru Ru19 1 0.55998730 0.47600928 0.50000000 1.0 Ru Ru20 1 0.52895360 0.09052287 0.50000000 1.0