# generated using pymatgen data_Nd2Si(PRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42660724 _cell_length_b 9.42660666 _cell_length_c 3.95464883 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Si(PRu2)6 _chemical_formula_sum 'Nd2 Si1 P6 Ru12' _cell_volume 304.33323053 _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 0.00000000 0.00000000 1.0 Nd Nd1 1 0.33333300 0.66666700 0.50000000 1.0 Si Si2 1 0.66666700 0.33333300 0.00000000 1.0 P P3 1 0.77629265 0.72612974 0.50000000 1.0 P P4 1 0.27387026 0.05016292 0.50000000 1.0 P P5 1 0.94983708 0.22370735 0.50000000 1.0 P P6 1 0.08743558 0.64549197 0.00000000 1.0 P P7 1 0.35450803 0.44194461 0.00000000 1.0 P P8 1 0.55805539 0.91256442 0.00000000 1.0 Ru Ru9 1 0.08927071 0.39959003 0.00000000 1.0 Ru Ru10 1 0.60040997 0.68967969 0.00000000 1.0 Ru Ru11 1 0.31032031 0.91072929 0.00000000 1.0 Ru Ru12 1 0.06002567 0.77495647 0.50000000 1.0 Ru Ru13 1 0.22504353 0.28506720 0.50000000 1.0 Ru Ru14 1 0.71493280 0.93997433 0.50000000 1.0 Ru Ru15 1 0.82970747 0.61047460 0.00000000 1.0 Ru Ru16 1 0.38952540 0.21923387 0.00000000 1.0 Ru Ru17 1 0.78076613 0.17029253 0.00000000 1.0 Ru Ru18 1 0.87301180 0.42162123 0.50000000 1.0 Ru Ru19 1 0.57837877 0.45139057 0.50000000 1.0 Ru Ru20 1 0.54860943 0.12698820 0.50000000 1.0