# generated using pymatgen data_Th4SiAsPd28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96148813 _cell_length_b 8.96148813 _cell_length_c 7.07675933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4SiAsPd28 _chemical_formula_sum 'Th4 Si1 As1 Pd28' _cell_volume 568.32229506 _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 Th Th0 1 0.50000000 0.00000000 0.92789400 1.0 Th Th1 1 0.00000000 0.50000000 0.07072850 1.0 Th Th2 1 0.00000000 0.00000000 0.50048568 1.0 Th Th3 1 0.50000000 0.50000000 0.50048568 1.0 Si Si4 1 0.00000000 0.50000000 0.55641663 1.0 As As5 1 0.50000000 0.00000000 0.44446829 1.0 Pd Pd6 1 0.33152315 0.83152315 0.61845198 1.0 Pd Pd7 1 0.33152315 0.16847685 0.61845198 1.0 Pd Pd8 1 0.66847685 0.83152315 0.61845198 1.0 Pd Pd9 1 0.66847685 0.16847685 0.61845198 1.0 Pd Pd10 1 0.16366609 0.66366609 0.38537161 1.0 Pd Pd11 1 0.16366609 0.33633391 0.38537161 1.0 Pd Pd12 1 0.83633391 0.66366609 0.38537161 1.0 Pd Pd13 1 0.83633391 0.33633391 0.38537161 1.0 Pd Pd14 1 0.50000000 0.76653147 0.25186440 1.0 Pd Pd15 1 0.50000000 0.23346853 0.25186440 1.0 Pd Pd16 1 0.26653147 0.00000000 0.25186440 1.0 Pd Pd17 1 0.73346853 0.00000000 0.25186440 1.0 Pd Pd18 1 0.00000000 0.72947354 0.74344213 1.0 Pd Pd19 1 0.00000000 0.27052646 0.74344213 1.0 Pd Pd20 1 0.22947354 0.50000000 0.74344213 1.0 Pd Pd21 1 0.77052646 0.50000000 0.74344213 1.0 Pd Pd22 1 0.50000000 0.34878061 0.85376727 1.0 Pd Pd23 1 0.50000000 0.65121939 0.85376727 1.0 Pd Pd24 1 0.84878061 0.00000000 0.85376727 1.0 Pd Pd25 1 0.15121939 0.00000000 0.85376727 1.0 Pd Pd26 1 0.00000000 0.15174860 0.14730501 1.0 Pd Pd27 1 0.00000000 0.84825140 0.14730501 1.0 Pd Pd28 1 0.65174860 0.50000000 0.14730501 1.0 Pd Pd29 1 0.34825140 0.50000000 0.14730501 1.0 Pd Pd30 1 0.24850487 0.74850487 0.99967866 1.0 Pd Pd31 1 0.24850487 0.25149513 0.99967866 1.0 Pd Pd32 1 0.75149513 0.74850487 0.99967866 1.0 Pd Pd33 1 0.75149513 0.25149513 0.99967866 1.0