# generated using pymatgen data_Ca2FeSiPd13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84516661 _cell_length_b 8.82801259 _cell_length_c 6.99492733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.44782188 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2FeSiPd13 _chemical_formula_sum 'Ca4 Fe2 Si2 Pd26' _cell_volume 546.18391117 _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 Ca Ca0 1 0.51471504 0.00000000 0.93374727 1.0 Ca Ca1 1 0.98528496 0.50000000 0.06625273 1.0 Ca Ca2 1 0.00464173 0.00000000 0.49834867 1.0 Ca Ca3 1 0.49535827 0.50000000 0.50165133 1.0 Fe Fe4 1 0.25000000 0.75000000 0.00000000 1.0 Fe Fe5 1 0.25000000 0.25000000 0.00000000 1.0 Si Si6 1 0.50308692 0.00000000 0.44404109 1.0 Si Si7 1 0.99691308 0.50000000 0.55595891 1.0 Pd Pd8 1 0.33455495 0.83444682 0.61394139 1.0 Pd Pd9 1 0.33455495 0.16555318 0.61394139 1.0 Pd Pd10 1 0.66654708 0.83188908 0.61729606 1.0 Pd Pd11 1 0.66654708 0.16811092 0.61729606 1.0 Pd Pd12 1 0.16544505 0.66555318 0.38605861 1.0 Pd Pd13 1 0.16544505 0.33444682 0.38605861 1.0 Pd Pd14 1 0.83345292 0.66811092 0.38270394 1.0 Pd Pd15 1 0.83345292 0.33188908 0.38270394 1.0 Pd Pd16 1 0.49418788 0.76894284 0.25132649 1.0 Pd Pd17 1 0.49418788 0.23105716 0.25132649 1.0 Pd Pd18 1 0.27207648 0.00000000 0.24939739 1.0 Pd Pd19 1 0.73357901 0.00000000 0.25739128 1.0 Pd Pd20 1 0.00581212 0.73105716 0.74867351 1.0 Pd Pd21 1 0.00581212 0.26894284 0.74867351 1.0 Pd Pd22 1 0.22792352 0.50000000 0.75060261 1.0 Pd Pd23 1 0.76642099 0.50000000 0.74260872 1.0 Pd Pd24 1 0.49060434 0.34303118 0.86492773 1.0 Pd Pd25 1 0.49060434 0.65696882 0.86492773 1.0 Pd Pd26 1 0.85609263 0.00000000 0.85378621 1.0 Pd Pd27 1 0.16915679 0.00000000 0.86561799 1.0 Pd Pd28 1 0.00939566 0.15696882 0.13507227 1.0 Pd Pd29 1 0.00939566 0.84303118 0.13507227 1.0 Pd Pd30 1 0.64390737 0.50000000 0.14621379 1.0 Pd Pd31 1 0.33084321 0.50000000 0.13438201 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0