# generated using pymatgen data_Th2AsPd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97732164 _cell_length_b 8.97732164 _cell_length_c 7.09777409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2AsPd14 _chemical_formula_sum 'Th4 As2 Pd28' _cell_volume 572.02596568 _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 0.92868288 1.0 Th Th1 1 0.00000000 0.50000000 0.07131712 1.0 Th Th2 1 0.00000000 0.00000000 0.50000000 1.0 Th Th3 1 0.50000000 0.50000000 0.50000000 1.0 As As4 1 0.50000000 0.00000000 0.44367850 1.0 As As5 1 0.00000000 0.50000000 0.55632150 1.0 Pd Pd6 1 0.33270711 0.83270711 0.61969211 1.0 Pd Pd7 1 0.33270711 0.16729289 0.61969211 1.0 Pd Pd8 1 0.66729289 0.83270711 0.61969211 1.0 Pd Pd9 1 0.66729289 0.16729289 0.61969211 1.0 Pd Pd10 1 0.16729289 0.66729289 0.38030789 1.0 Pd Pd11 1 0.16729289 0.33270711 0.38030789 1.0 Pd Pd12 1 0.83270711 0.66729289 0.38030789 1.0 Pd Pd13 1 0.83270711 0.33270711 0.38030789 1.0 Pd Pd14 1 0.50000000 0.76619798 0.25264489 1.0 Pd Pd15 1 0.50000000 0.23380202 0.25264489 1.0 Pd Pd16 1 0.26619798 0.00000000 0.25264489 1.0 Pd Pd17 1 0.73380202 0.00000000 0.25264489 1.0 Pd Pd18 1 0.00000000 0.73380202 0.74735511 1.0 Pd Pd19 1 0.00000000 0.26619798 0.74735511 1.0 Pd Pd20 1 0.23380202 0.50000000 0.74735511 1.0 Pd Pd21 1 0.76619798 0.50000000 0.74735511 1.0 Pd Pd22 1 0.50000000 0.34865942 0.85392205 1.0 Pd Pd23 1 0.50000000 0.65134058 0.85392205 1.0 Pd Pd24 1 0.84865942 0.00000000 0.85392205 1.0 Pd Pd25 1 0.15134058 0.00000000 0.85392205 1.0 Pd Pd26 1 0.00000000 0.15134058 0.14607795 1.0 Pd Pd27 1 0.00000000 0.84865942 0.14607795 1.0 Pd Pd28 1 0.65134058 0.50000000 0.14607795 1.0 Pd Pd29 1 0.34865942 0.50000000 0.14607795 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