# generated using pymatgen data_Ca4ZnSi2Pd27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85398933 _cell_length_b 8.85398933 _cell_length_c 6.99762080 _cell_angle_alpha 90.48166106 _cell_angle_beta 90.48166106 _cell_angle_gamma 89.25819769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4ZnSi2Pd27 _chemical_formula_sum 'Ca4 Zn1 Si2 Pd27' _cell_volume 548.48113293 _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 Ca Ca0 1 0.50645062 0.00645062 0.93611764 1.0 Ca Ca1 1 0.99354938 0.49354938 0.06388236 1.0 Ca Ca2 1 0.00338523 0.99661477 0.50000000 1.0 Ca Ca3 1 0.49661477 0.50338523 0.50000000 1.0 Zn Zn4 1 0.25000000 0.75000000 0.00000000 1.0 Si Si5 1 0.50409333 0.00409333 0.44552124 1.0 Si Si6 1 0.99590667 0.49590667 0.55447876 1.0 Pd Pd7 1 0.33807803 0.83807803 0.60681014 1.0 Pd Pd8 1 0.33384564 0.16800598 0.61843641 1.0 Pd Pd9 1 0.66800598 0.83384564 0.61843641 1.0 Pd Pd10 1 0.66808299 0.16808299 0.61738626 1.0 Pd Pd11 1 0.16192197 0.66192197 0.39318986 1.0 Pd Pd12 1 0.16615436 0.33199402 0.38156359 1.0 Pd Pd13 1 0.83199402 0.66615436 0.38156359 1.0 Pd Pd14 1 0.83191701 0.33191701 0.38261374 1.0 Pd Pd15 1 0.50154068 0.77206370 0.25387916 1.0 Pd Pd16 1 0.49825823 0.23287460 0.25734321 1.0 Pd Pd17 1 0.27206370 0.00154068 0.25387916 1.0 Pd Pd18 1 0.73287460 0.99825823 0.25734321 1.0 Pd Pd19 1 0.99845932 0.72793630 0.74612084 1.0 Pd Pd20 1 0.00174177 0.26712540 0.74265679 1.0 Pd Pd21 1 0.22793630 0.49845932 0.74612084 1.0 Pd Pd22 1 0.76712540 0.50174177 0.74265679 1.0 Pd Pd23 1 0.49796376 0.35280589 0.85709218 1.0 Pd Pd24 1 0.49144250 0.66075061 0.86058864 1.0 Pd Pd25 1 0.85280589 0.99796376 0.85709218 1.0 Pd Pd26 1 0.16075061 0.99144250 0.86058864 1.0 Pd Pd27 1 0.00203624 0.14719411 0.14290782 1.0 Pd Pd28 1 0.00855750 0.83924939 0.13941136 1.0 Pd Pd29 1 0.64719411 0.50203624 0.14290782 1.0 Pd Pd30 1 0.33924939 0.50855750 0.13941136 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