# generated using pymatgen data_Sr2(PPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22286300 _cell_length_b 4.28372900 _cell_length_c 34.48579900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2(PPd)3 _chemical_formula_sum 'Sr8 P12 Pd12' _cell_volume 623.83433360 _cell_formula_units_Z 4 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 Sr Sr0 1 0.00000000 0.00000000 0.42666500 1.0 Sr Sr1 1 0.50000000 0.00000000 0.67858500 1.0 Sr Sr2 1 0.50000000 0.00000000 0.32141500 1.0 Sr Sr3 1 0.00000000 0.50000000 0.17663700 1.0 Sr Sr4 1 0.50000000 0.50000000 0.92786200 1.0 Sr Sr5 1 0.50000000 0.50000000 0.07213800 1.0 Sr Sr6 1 0.00000000 0.50000000 0.82336300 1.0 Sr Sr7 1 0.00000000 0.00000000 0.57333500 1.0 P P8 1 0.00000000 0.00000000 0.96014800 1.0 P P9 1 0.50000000 0.50000000 0.54032800 1.0 P P10 1 0.50000000 0.50000000 0.45967200 1.0 P P11 1 0.50000000 0.00000000 0.21034700 1.0 P P12 1 0.00000000 0.50000000 0.28708000 1.0 P P13 1 0.00000000 0.50000000 0.71292000 1.0 P P14 1 0.50000000 0.00000000 0.85557000 1.0 P P15 1 0.50000000 0.00000000 0.78965300 1.0 P P16 1 0.00000000 0.50000000 0.64683600 1.0 P P17 1 0.00000000 0.50000000 0.35316400 1.0 P P18 1 0.50000000 0.00000000 0.14443000 1.0 P P19 1 0.00000000 0.00000000 0.03985200 1.0 Pd Pd20 1 0.00000000 0.00000000 0.89055300 1.0 Pd Pd21 1 0.00000000 0.00000000 0.10944700 1.0 Pd Pd22 1 0.00000000 0.00000000 0.75220500 1.0 Pd Pd23 1 0.50000000 0.50000000 0.38897300 1.0 Pd Pd24 1 0.50000000 0.50000000 0.61102700 1.0 Pd Pd25 1 0.00000000 0.00000000 0.24779500 1.0 Pd Pd26 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd27 1 0.50000000 0.50000000 0.24950400 1.0 Pd Pd28 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd29 1 0.50000000 0.50000000 0.75049600 1.0 Pd Pd30 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd31 1 0.00000000 0.50000000 0.00000000 1.0