# generated using pymatgen data_Y3Zr(P3Pd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97808339 _cell_length_b 11.37750732 _cell_length_c 13.26122672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zr(P3Pd4)2 _chemical_formula_sum 'Y6 Zr2 P12 Pd16' _cell_volume 600.21204430 _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 Y Y0 1 0.00000000 0.50000000 0.52169196 1.0 Y Y1 1 0.50000000 0.00000000 0.47830804 1.0 Y Y2 1 0.50000000 0.81816891 0.20577648 1.0 Y Y3 1 0.50000000 0.18183109 0.20577648 1.0 Y Y4 1 0.00000000 0.68183109 0.79422352 1.0 Y Y5 1 0.00000000 0.31816891 0.79422352 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15780654 1.0 Zr Zr7 1 0.00000000 0.00000000 0.84219346 1.0 P P8 1 0.50000000 0.50000000 0.87192119 1.0 P P9 1 0.00000000 0.00000000 0.12807881 1.0 P P10 1 0.50000000 0.50000000 0.35744001 1.0 P P11 1 0.00000000 0.00000000 0.64255999 1.0 P P12 1 0.50000000 0.31961722 0.61627624 1.0 P P13 1 0.50000000 0.68038278 0.61627624 1.0 P P14 1 0.00000000 0.18038278 0.38372376 1.0 P P15 1 0.00000000 0.81961722 0.38372376 1.0 P P16 1 0.50000000 0.84475622 0.88306640 1.0 P P17 1 0.50000000 0.15524378 0.88306640 1.0 P P18 1 0.00000000 0.65524378 0.11693360 1.0 P P19 1 0.00000000 0.34475622 0.11693360 1.0 Pd Pd20 1 0.50000000 0.50000000 0.69852495 1.0 Pd Pd21 1 0.00000000 0.00000000 0.30147505 1.0 Pd Pd22 1 0.00000000 0.50000000 0.98627748 1.0 Pd Pd23 1 0.50000000 0.00000000 0.01372252 1.0 Pd Pd24 1 0.50000000 0.33103267 0.97264694 1.0 Pd Pd25 1 0.50000000 0.66896733 0.97264694 1.0 Pd Pd26 1 0.00000000 0.16896733 0.02735306 1.0 Pd Pd27 1 0.00000000 0.83103267 0.02735306 1.0 Pd Pd28 1 0.50000000 0.30208379 0.43412730 1.0 Pd Pd29 1 0.50000000 0.69791621 0.43412730 1.0 Pd Pd30 1 0.00000000 0.19791621 0.56587270 1.0 Pd Pd31 1 0.00000000 0.80208379 0.56587270 1.0 Pd Pd32 1 0.50000000 0.87231000 0.70431479 1.0 Pd Pd33 1 0.50000000 0.12769000 0.70431479 1.0 Pd Pd34 1 0.00000000 0.62769000 0.29568521 1.0 Pd Pd35 1 0.00000000 0.37231000 0.29568521 1.0