# generated using pymatgen data_Sc4Si2Pd7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92755102 _cell_length_b 6.56349772 _cell_length_c 16.48278824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Si2Pd7 _chemical_formula_sum 'Sc8 Si4 Pd14' _cell_volume 424.90109796 _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 0.28244628 0.46111395 1.0 Sc Sc1 1 0.00000000 0.71755372 0.53888605 1.0 Sc Sc2 1 0.00000000 0.78244628 0.03888605 1.0 Sc Sc3 1 0.00000000 0.21755372 0.96111395 1.0 Sc Sc4 1 0.00000000 0.52598838 0.28862699 1.0 Sc Sc5 1 0.00000000 0.47401162 0.71137301 1.0 Sc Sc6 1 0.00000000 0.02598838 0.21137301 1.0 Sc Sc7 1 0.00000000 0.97401162 0.78862699 1.0 Si Si8 1 0.50000000 0.83454656 0.30926364 1.0 Si Si9 1 0.50000000 0.16545344 0.69073636 1.0 Si Si10 1 0.50000000 0.33454656 0.19073636 1.0 Si Si11 1 0.50000000 0.66545344 0.80926364 1.0 Pd Pd12 1 0.00000000 0.90750583 0.38422712 1.0 Pd Pd13 1 0.00000000 0.09249417 0.61577288 1.0 Pd Pd14 1 0.00000000 0.40750583 0.11577288 1.0 Pd Pd15 1 0.00000000 0.59249417 0.88422712 1.0 Pd Pd16 1 0.50000000 0.59204211 0.42159149 1.0 Pd Pd17 1 0.50000000 0.40795789 0.57840851 1.0 Pd Pd18 1 0.50000000 0.09204211 0.07840851 1.0 Pd Pd19 1 0.50000000 0.90795789 0.92159149 1.0 Pd Pd20 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd21 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd22 1 0.50000000 0.20958820 0.33355885 1.0 Pd Pd23 1 0.50000000 0.79041180 0.66644115 1.0 Pd Pd24 1 0.50000000 0.70958820 0.16644115 1.0 Pd Pd25 1 0.50000000 0.29041180 0.83355885 1.0