# generated using pymatgen data_NdTh3(Pd3Pt)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92730469 _cell_length_b 5.92106870 _cell_length_c 9.72447136 _cell_angle_alpha 89.91274301 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.03483976 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTh3(Pd3Pt)3 _chemical_formula_sum 'Nd1 Th3 Pd9 Pt3' _cell_volume 295.46139238 _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 0.99976491 0.99953082 0.49961625 1.0 Th Th1 1 0.99947436 0.99894973 0.00062508 1.0 Th Th2 1 0.33630964 0.67262128 0.25327044 1.0 Th Th3 1 0.66458268 0.32916435 0.74653723 1.0 Pd Pd4 1 0.50018702 0.49966666 0.50057511 1.0 Pd Pd5 1 0.99947963 0.49966666 0.50057511 1.0 Pd Pd6 1 0.49946764 0.49881332 0.99931929 1.0 Pd Pd7 1 0.99934667 0.49881332 0.99931929 1.0 Pd Pd8 1 0.35517648 0.18095368 0.24844215 1.0 Pd Pd9 1 0.82577720 0.18095368 0.24844215 1.0 Pd Pd10 1 0.17466604 0.34933107 0.75206038 1.0 Pd Pd11 1 0.64550676 0.81953592 0.75174592 1.0 Pd Pd12 1 0.17402916 0.81953592 0.75174592 1.0 Pt Pt13 1 0.49976400 0.99952699 0.50134609 1.0 Pt Pt14 1 0.49970093 0.99939987 0.99878892 1.0 Pt Pt15 1 0.82676787 0.65353574 0.24759266 1.0