# generated using pymatgen data_Sr2(PPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19829243 _cell_length_b 4.24892203 _cell_length_c 34.34164867 _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 612.59378778 _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 0.42723496 1.0 Sr Sr1 1 0.50000000 -0.00000000 0.67762849 1.0 Sr Sr2 1 0.50000000 0.00000000 0.32237151 1.0 Sr Sr3 1 -0.00000000 0.50000000 0.17720972 1.0 Sr Sr4 1 0.50000000 0.50000000 0.92739783 1.0 Sr Sr5 1 0.50000000 0.50000000 0.07260217 1.0 Sr Sr6 1 -0.00000000 0.50000000 0.82279028 1.0 Sr Sr7 1 -0.00000000 0.00000000 0.57276504 1.0 P P8 1 -0.00000000 0.00000000 0.95995801 1.0 P P9 1 0.50000000 0.50000000 0.54013234 1.0 P P10 1 0.50000000 0.50000000 0.45986766 1.0 P P11 1 0.50000000 0.00000000 0.21124802 1.0 P P12 1 0.00000000 0.50000000 0.28838984 1.0 P P13 1 -0.00000000 0.50000000 0.71161016 1.0 P P14 1 0.50000000 -0.00000000 0.85438237 1.0 P P15 1 0.50000000 0.00000000 0.78875198 1.0 P P16 1 -0.00000000 0.50000000 0.64595249 1.0 P P17 1 -0.00000000 0.50000000 0.35404751 1.0 P P18 1 0.50000000 0.00000000 0.14561763 1.0 P P19 1 -0.00000000 -0.00000000 0.04004199 1.0 Pd Pd20 1 -0.00000000 -0.00000000 0.89009780 1.0 Pd Pd21 1 -0.00000000 -0.00000000 0.10990220 1.0 Pd Pd22 1 -0.00000000 0.00000000 0.75084380 1.0 Pd Pd23 1 0.50000000 0.50000000 0.38988015 1.0 Pd Pd24 1 0.50000000 0.50000000 0.61011985 1.0 Pd Pd25 1 -0.00000000 0.00000000 0.24915620 1.0 Pd Pd26 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd27 1 0.50000000 0.50000000 0.25047166 1.0 Pd Pd28 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd29 1 0.50000000 0.50000000 0.74952834 1.0 Pd Pd30 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd31 1 0.00000000 0.50000000 0.00000000 1.0