# generated using pymatgen data_Y5Ti3(P3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.97580114 _cell_length_b 12.97580041 _cell_length_c 3.94517742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999935 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Ti3(P3Pd4)4 _chemical_formula_sum 'Y5 Ti3 P12 Pd16' _cell_volume 575.26176750 _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 0.18948569 0.18948569 0.50000000 1.0 Y Y1 1 0.81051431 0.00000000 0.50000000 1.0 Y Y2 1 1.00000000 0.81051431 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 Ti Ti5 1 0.55223135 0.55223135 0.00000000 1.0 Ti Ti6 1 0.44776865 1.00000000 0.00000000 1.0 Ti Ti7 1 0.00000000 0.44776865 0.00000000 1.0 P P8 1 0.82614025 0.82614025 0.00000000 1.0 P P9 1 0.17385975 0.00000000 0.00000000 1.0 P P10 1 1.00000000 0.17385975 0.00000000 1.0 P P11 1 0.16204497 0.48056942 0.50000000 1.0 P P12 1 0.51943058 0.68147554 0.50000000 1.0 P P13 1 0.31852446 0.83795503 0.50000000 1.0 P P14 1 0.68147554 0.51943058 0.50000000 1.0 P P15 1 0.83795503 0.31852446 0.50000000 1.0 P P16 1 0.48056942 0.16204497 0.50000000 1.0 P P17 1 0.36265519 0.36265519 0.00000000 1.0 P P18 1 0.63734481 0.00000000 0.00000000 1.0 P P19 1 0.00000000 0.63734481 0.00000000 1.0 Pd Pd20 1 0.72288751 0.72288751 0.50000000 1.0 Pd Pd21 1 0.27711249 1.00000000 0.50000000 1.0 Pd Pd22 1 0.00000000 0.27711249 0.50000000 1.0 Pd Pd23 1 0.18349498 0.37729545 0.00000000 1.0 Pd Pd24 1 0.62270455 0.80619953 0.00000000 1.0 Pd Pd25 1 0.19380047 0.81650502 0.00000000 1.0 Pd Pd26 1 0.80619953 0.62270455 0.00000000 1.0 Pd Pd27 1 0.81650502 0.19380047 0.00000000 1.0 Pd Pd28 1 0.37729545 0.18349498 0.00000000 1.0 Pd Pd29 1 0.35890394 0.48954114 0.50000000 1.0 Pd Pd30 1 0.51045886 0.86936280 0.50000000 1.0 Pd Pd31 1 0.13063720 0.64109606 0.50000000 1.0 Pd Pd32 1 0.86936280 0.51045886 0.50000000 1.0 Pd Pd33 1 0.64109606 0.13063720 0.50000000 1.0 Pd Pd34 1 0.48954114 0.35890394 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0