# generated using pymatgen data_Ca4Si2SnPd27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91555257 _cell_length_b 8.91555257 _cell_length_c 6.99960630 _cell_angle_alpha 90.44787162 _cell_angle_beta 90.44787162 _cell_angle_gamma 89.19813671 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Si2SnPd27 _chemical_formula_sum 'Ca4 Si2 Sn1 Pd27' _cell_volume 556.29023859 _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 0.50991018 0.00991018 0.93303946 1.0 Ca Ca1 1 0.99008982 0.49008982 0.06696054 1.0 Ca Ca2 1 0.00097399 0.99902601 0.50000000 1.0 Ca Ca3 1 0.49902601 0.50097399 0.50000000 1.0 Si Si4 1 0.50530209 0.00530209 0.44471568 1.0 Si Si5 1 0.99469791 0.49469791 0.55528432 1.0 Sn Sn6 1 0.25000000 0.75000000 0.00000000 1.0 Pd Pd7 1 0.33972097 0.83972097 0.60272631 1.0 Pd Pd8 1 0.33573497 0.16815227 0.61630235 1.0 Pd Pd9 1 0.66815227 0.83573497 0.61630235 1.0 Pd Pd10 1 0.66824440 0.16824440 0.61689422 1.0 Pd Pd11 1 0.16027903 0.66027903 0.39727369 1.0 Pd Pd12 1 0.16426503 0.33184773 0.38369765 1.0 Pd Pd13 1 0.83184773 0.66426503 0.38369765 1.0 Pd Pd14 1 0.83175560 0.33175560 0.38310578 1.0 Pd Pd15 1 0.50405888 0.77310740 0.25375518 1.0 Pd Pd16 1 0.50011156 0.23233158 0.25576139 1.0 Pd Pd17 1 0.27310740 0.00405888 0.25375518 1.0 Pd Pd18 1 0.73233158 0.00011156 0.25576139 1.0 Pd Pd19 1 0.99594112 0.72689260 0.74624482 1.0 Pd Pd20 1 0.99988844 0.26766842 0.74423861 1.0 Pd Pd21 1 0.22689260 0.49594112 0.74624482 1.0 Pd Pd22 1 0.76766842 0.49988844 0.74423861 1.0 Pd Pd23 1 0.49808267 0.35085264 0.85757672 1.0 Pd Pd24 1 0.49773541 0.65756925 0.85518478 1.0 Pd Pd25 1 0.85085264 0.99808267 0.85757672 1.0 Pd Pd26 1 0.15756925 0.99773541 0.85518478 1.0 Pd Pd27 1 0.00191733 0.14914736 0.14242328 1.0 Pd Pd28 1 0.00226459 0.84243075 0.14481522 1.0 Pd Pd29 1 0.64914736 0.50191733 0.14242328 1.0 Pd Pd30 1 0.34243075 0.50226459 0.14481522 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