# generated using pymatgen data_Pr3Th(SiPd14)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93224723 _cell_length_b 8.93224723 _cell_length_c 7.08565875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Th(SiPd14)2 _chemical_formula_sum 'Pr3 Th1 Si2 Pd28' _cell_volume 565.32957037 _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 Pr Pr0 1 0.50000000 0.00000000 0.93509471 1.0 Pr Pr1 1 0.00000000 0.50000000 0.06490529 1.0 Pr Pr2 1 0.50000000 0.50000000 0.50000000 1.0 Th Th3 1 0.00000000 0.00000000 0.50000000 1.0 Si Si4 1 0.50000000 0.00000000 0.44920086 1.0 Si Si5 1 0.00000000 0.50000000 0.55079914 1.0 Pd Pd6 1 0.33462074 0.83384298 0.61410568 1.0 Pd Pd7 1 0.33462074 0.16615702 0.61410568 1.0 Pd Pd8 1 0.66537926 0.83384298 0.61410568 1.0 Pd Pd9 1 0.66537926 0.16615702 0.61410568 1.0 Pd Pd10 1 0.16615702 0.66537926 0.38589432 1.0 Pd Pd11 1 0.16615702 0.33462074 0.38589432 1.0 Pd Pd12 1 0.83384298 0.66537926 0.38589432 1.0 Pd Pd13 1 0.83384298 0.33462074 0.38589432 1.0 Pd Pd14 1 0.50000000 0.77176841 0.25710360 1.0 Pd Pd15 1 0.50000000 0.22823159 0.25710360 1.0 Pd Pd16 1 0.26864313 0.00000000 0.26139764 1.0 Pd Pd17 1 0.73135687 0.00000000 0.26139764 1.0 Pd Pd18 1 0.00000000 0.73135687 0.73860236 1.0 Pd Pd19 1 0.00000000 0.26864313 0.73860236 1.0 Pd Pd20 1 0.22823159 0.50000000 0.74289640 1.0 Pd Pd21 1 0.77176841 0.50000000 0.74289640 1.0 Pd Pd22 1 0.50000000 0.34756373 0.85765800 1.0 Pd Pd23 1 0.50000000 0.65243627 0.85765800 1.0 Pd Pd24 1 0.84950496 0.00000000 0.85177447 1.0 Pd Pd25 1 0.15049504 0.00000000 0.85177447 1.0 Pd Pd26 1 0.00000000 0.15049504 0.14822553 1.0 Pd Pd27 1 0.00000000 0.84950496 0.14822553 1.0 Pd Pd28 1 0.65243627 0.50000000 0.14234200 1.0 Pd Pd29 1 0.34756373 0.50000000 0.14234200 1.0 Pd Pd30 1 0.24918843 0.75081157 0.00000000 1.0 Pd Pd31 1 0.24918843 0.24918843 0.00000000 1.0 Pd Pd32 1 0.75081157 0.75081157 0.00000000 1.0 Pd Pd33 1 0.75081157 0.24918843 0.00000000 1.0