# generated using pymatgen data_Th2PPd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94269579 _cell_length_b 8.94269579 _cell_length_c 7.04739819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2PPd14 _chemical_formula_sum 'Th4 P2 Pd28' _cell_volume 563.59317523 _cell_formula_units_Z 2 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 Th Th0 1 0.50000000 0.00000000 0.92923600 1.0 Th Th1 1 0.00000000 0.50000000 0.07076400 1.0 Th Th2 1 0.00000000 0.00000000 0.50000000 1.0 Th Th3 1 0.50000000 0.50000000 0.50000000 1.0 P P4 1 0.50000000 0.00000000 0.44334599 1.0 P P5 1 0.00000000 0.50000000 0.55665401 1.0 Pd Pd6 1 0.33720493 0.83720493 0.61174391 1.0 Pd Pd7 1 0.33720493 0.16279507 0.61174391 1.0 Pd Pd8 1 0.66279507 0.83720493 0.61174391 1.0 Pd Pd9 1 0.66279507 0.16279507 0.61174391 1.0 Pd Pd10 1 0.16279507 0.66279507 0.38825609 1.0 Pd Pd11 1 0.16279507 0.33720493 0.38825609 1.0 Pd Pd12 1 0.83720493 0.66279507 0.38825609 1.0 Pd Pd13 1 0.83720493 0.33720493 0.38825609 1.0 Pd Pd14 1 0.50000000 0.77131476 0.25686166 1.0 Pd Pd15 1 0.50000000 0.22868524 0.25686166 1.0 Pd Pd16 1 0.27131476 0.00000000 0.25686166 1.0 Pd Pd17 1 0.72868524 0.00000000 0.25686166 1.0 Pd Pd18 1 0.00000000 0.72868524 0.74313834 1.0 Pd Pd19 1 0.00000000 0.27131476 0.74313834 1.0 Pd Pd20 1 0.22868524 0.50000000 0.74313834 1.0 Pd Pd21 1 0.77131476 0.50000000 0.74313834 1.0 Pd Pd22 1 0.50000000 0.34835682 0.85224806 1.0 Pd Pd23 1 0.50000000 0.65164318 0.85224806 1.0 Pd Pd24 1 0.84835682 0.00000000 0.85224806 1.0 Pd Pd25 1 0.15164318 0.00000000 0.85224806 1.0 Pd Pd26 1 0.00000000 0.15164318 0.14775194 1.0 Pd Pd27 1 0.00000000 0.84835682 0.14775194 1.0 Pd Pd28 1 0.65164318 0.50000000 0.14775194 1.0 Pd Pd29 1 0.34835682 0.50000000 0.14775194 1.0 Pd Pd30 1 0.25000000 0.75000000 0.00000000 1.0 Pd Pd31 1 0.25000000 0.25000000 0.00000000 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0