# generated using pymatgen data_Sc2Si2Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03642557 _cell_length_b 6.41343758 _cell_length_c 8.74071939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Si2Pd3 _chemical_formula_sum 'Sc4 Si4 Pd6' _cell_volume 226.27417971 _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 Sc Sc0 1 0.00000000 0.89118002 0.32863204 1.0 Sc Sc1 1 0.00000000 0.10881998 0.67136796 1.0 Sc Sc2 1 0.00000000 0.39118002 0.17136796 1.0 Sc Sc3 1 0.00000000 0.60881998 0.82863204 1.0 Si Si4 1 0.50000000 0.57570516 0.35282331 1.0 Si Si5 1 0.50000000 0.42429484 0.64717669 1.0 Si Si6 1 0.50000000 0.07570516 0.14717669 1.0 Si Si7 1 0.50000000 0.92429484 0.85282331 1.0 Pd Pd8 1 0.50000000 0.69191838 0.08462619 1.0 Pd Pd9 1 0.50000000 0.30808162 0.91537381 1.0 Pd Pd10 1 0.50000000 0.19191838 0.41537381 1.0 Pd Pd11 1 0.50000000 0.80808162 0.58462619 1.0 Pd Pd12 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd13 1 0.00000000 0.00000000 0.00000000 1.0