# generated using pymatgen data_Y5Zr3(P3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.09591897 _cell_length_b 13.09591702 _cell_length_c 3.98205000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000242 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Zr3(P3Pd4)4 _chemical_formula_sum 'Y5 Zr3 P12 Pd16' _cell_volume 591.43799845 _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 Y Y0 1 0.18767776 0.18767776 0.50000000 1.0 Y Y1 1 0.81232224 0.00000000 0.50000000 1.0 Y Y2 1 1.00000000 0.81232224 0.50000000 1.0 Y Y3 1 0.33333300 0.66666700 0.00000000 1.0 Y Y4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.55358666 0.55358666 0.00000000 1.0 Zr Zr6 1 0.44641334 1.00000000 0.00000000 1.0 Zr Zr7 1 0.00000000 0.44641334 0.00000000 1.0 P P8 1 0.82669792 0.82669792 0.00000000 1.0 P P9 1 0.17330208 0.00000000 0.00000000 1.0 P P10 1 1.00000000 0.17330208 0.00000000 1.0 P P11 1 0.16499016 0.48039700 0.50000000 1.0 P P12 1 0.51960300 0.68459216 0.50000000 1.0 P P13 1 0.31540784 0.83500984 0.50000000 1.0 P P14 1 0.68459216 0.51960300 0.50000000 1.0 P P15 1 0.83500984 0.31540784 0.50000000 1.0 P P16 1 0.48039700 0.16499016 0.50000000 1.0 P P17 1 0.35640234 0.35640234 0.00000000 1.0 P P18 1 0.64359766 1.00000000 0.00000000 1.0 P P19 1 0.00000000 0.64359766 0.00000000 1.0 Pd Pd20 1 0.72713470 0.72713470 0.50000000 1.0 Pd Pd21 1 0.27286530 0.00000000 0.50000000 1.0 Pd Pd22 1 1.00000000 0.27286530 0.50000000 1.0 Pd Pd23 1 0.18329997 0.37453863 0.00000000 1.0 Pd Pd24 1 0.62546137 0.80876034 0.00000000 1.0 Pd Pd25 1 0.19123966 0.81670003 0.00000000 1.0 Pd Pd26 1 0.80876034 0.62546137 0.00000000 1.0 Pd Pd27 1 0.81670003 0.19123966 0.00000000 1.0 Pd Pd28 1 0.37453863 0.18329997 0.00000000 1.0 Pd Pd29 1 0.35797480 0.49143310 0.50000000 1.0 Pd Pd30 1 0.50856690 0.86654170 0.50000000 1.0 Pd Pd31 1 0.13345830 0.64202520 0.50000000 1.0 Pd Pd32 1 0.86654170 0.50856690 0.50000000 1.0 Pd Pd33 1 0.64202520 0.13345830 0.50000000 1.0 Pd Pd34 1 0.49143310 0.35797480 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0