# generated using pymatgen data_Th2Si6(Pd2Rh)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56998856 _cell_length_b 8.56998771 _cell_length_c 8.56998847 _cell_angle_alpha 60.19540533 _cell_angle_beta 60.19540644 _cell_angle_gamma 60.19540132 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Si6(Pd2Rh)7 _chemical_formula_sum 'Th2 Si6 Pd14 Rh7' _cell_volume 447.03663498 _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 0.75039611 0.75039611 0.75039611 1.0 Th Th1 1 0.24661483 0.24661483 0.24661483 1.0 Si Si2 1 0.72188469 0.72188469 0.27817461 1.0 Si Si3 1 0.27507599 0.72789350 0.27507599 1.0 Si Si4 1 0.72789350 0.27507599 0.27507599 1.0 Si Si5 1 0.27507599 0.27507599 0.72789350 1.0 Si Si6 1 0.72188469 0.27817461 0.72188469 1.0 Si Si7 1 0.27817461 0.72188469 0.72188469 1.0 Pd Pd8 1 0.00051144 0.00051144 0.00051144 1.0 Pd Pd9 1 0.38210599 0.38210599 0.38210599 1.0 Pd Pd10 1 0.99933610 0.99933610 0.34165327 1.0 Pd Pd11 1 0.66010030 0.00061406 0.33961075 1.0 Pd Pd12 1 0.00061406 0.66010030 0.33961075 1.0 Pd Pd13 1 0.66010030 0.33961075 0.00061406 1.0 Pd Pd14 1 0.99933610 0.34165327 0.99933610 1.0 Pd Pd15 1 0.00061406 0.33961075 0.66010030 1.0 Pd Pd16 1 0.33961075 0.66010030 0.00061406 1.0 Pd Pd17 1 0.33961075 0.00061406 0.66010030 1.0 Pd Pd18 1 0.34165327 0.99933610 0.99933610 1.0 Pd Pd19 1 0.00051337 0.00051337 0.66144716 1.0 Pd Pd20 1 0.00051337 0.66144716 0.00051337 1.0 Pd Pd21 1 0.66144716 0.00051337 0.00051337 1.0 Rh Rh22 1 0.61615220 0.61615220 0.14789339 1.0 Rh Rh23 1 0.61615220 0.14789339 0.61615220 1.0 Rh Rh24 1 0.14789339 0.61615220 0.61615220 1.0 Rh Rh25 1 0.61847797 0.61847797 0.61847797 1.0 Rh Rh26 1 0.38228244 0.38228244 0.85369191 1.0 Rh Rh27 1 0.38228244 0.85369191 0.38228244 1.0 Rh Rh28 1 0.85369191 0.38228244 0.38228244 1.0