# generated using pymatgen data_Y3Ti(P3Pd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94201255 _cell_length_b 11.29871719 _cell_length_c 13.23240814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Ti(P3Pd4)2 _chemical_formula_sum 'Y6 Ti2 P12 Pd16' _cell_volume 589.36728969 _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 0.52031357 1.0 Y Y1 1 0.50000000 0.00000000 0.47968643 1.0 Y Y2 1 0.50000000 0.81571577 0.20633202 1.0 Y Y3 1 0.50000000 0.18428423 0.20633202 1.0 Y Y4 1 0.00000000 0.68428423 0.79366798 1.0 Y Y5 1 0.00000000 0.31571577 0.79366798 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15797801 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84202199 1.0 P P8 1 0.50000000 0.50000000 0.87181225 1.0 P P9 1 0.00000000 0.00000000 0.12818775 1.0 P P10 1 0.50000000 0.50000000 0.35015090 1.0 P P11 1 0.00000000 0.00000000 0.64984910 1.0 P P12 1 0.50000000 0.31975104 0.61645811 1.0 P P13 1 0.50000000 0.68024896 0.61645811 1.0 P P14 1 0.00000000 0.18024896 0.38354189 1.0 P P15 1 0.00000000 0.81975104 0.38354189 1.0 P P16 1 0.50000000 0.85022472 0.88248138 1.0 P P17 1 0.50000000 0.14977528 0.88248138 1.0 P P18 1 0.00000000 0.64977528 0.11751862 1.0 P P19 1 0.00000000 0.35022472 0.11751862 1.0 Pd Pd20 1 0.50000000 0.50000000 0.69875206 1.0 Pd Pd21 1 0.00000000 0.00000000 0.30124794 1.0 Pd Pd22 1 0.00000000 0.50000000 0.98936003 1.0 Pd Pd23 1 0.50000000 0.00000000 0.01063997 1.0 Pd Pd24 1 0.50000000 0.32899934 0.97114039 1.0 Pd Pd25 1 0.50000000 0.67100066 0.97114039 1.0 Pd Pd26 1 0.00000000 0.17100066 0.02885961 1.0 Pd Pd27 1 0.00000000 0.82899934 0.02885961 1.0 Pd Pd28 1 0.50000000 0.30345130 0.43392382 1.0 Pd Pd29 1 0.50000000 0.69654870 0.43392382 1.0 Pd Pd30 1 0.00000000 0.19654870 0.56607618 1.0 Pd Pd31 1 0.00000000 0.80345130 0.56607618 1.0 Pd Pd32 1 0.50000000 0.87412346 0.70580976 1.0 Pd Pd33 1 0.50000000 0.12587654 0.70580976 1.0 Pd Pd34 1 0.00000000 0.62587654 0.29419024 1.0 Pd Pd35 1 0.00000000 0.37412346 0.29419024 1.0