# generated using pymatgen data_Ca2CuGePd13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83786405 _cell_length_b 8.83024467 _cell_length_c 7.03276246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.37530162 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CuGePd13 _chemical_formula_sum 'Ca4 Cu2 Ge2 Pd26' _cell_volume 548.82853887 _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 Ca Ca0 1 0.50577563 0.00000000 0.93820925 1.0 Ca Ca1 1 0.99422437 0.50000000 0.06179075 1.0 Ca Ca2 1 0.00346886 0.00000000 0.49963982 1.0 Ca Ca3 1 0.49653114 0.50000000 0.50036018 1.0 Cu Cu4 1 0.25000000 0.75000000 0.00000000 1.0 Cu Cu5 1 0.25000000 0.25000000 0.00000000 1.0 Ge Ge6 1 0.50291346 0.00000000 0.44940120 1.0 Ge Ge7 1 0.99708654 0.50000000 0.55059880 1.0 Pd Pd8 1 0.33025878 0.83023966 0.62257037 1.0 Pd Pd9 1 0.33025878 0.16976034 0.62257037 1.0 Pd Pd10 1 0.67114172 0.82810530 0.62465986 1.0 Pd Pd11 1 0.67114172 0.17189470 0.62465986 1.0 Pd Pd12 1 0.16974122 0.66976034 0.37742963 1.0 Pd Pd13 1 0.16974122 0.33023966 0.37742963 1.0 Pd Pd14 1 0.82885828 0.67189470 0.37534014 1.0 Pd Pd15 1 0.82885828 0.32810530 0.37534014 1.0 Pd Pd16 1 0.49428041 0.76551884 0.25177373 1.0 Pd Pd17 1 0.49428041 0.23448116 0.25177373 1.0 Pd Pd18 1 0.26804807 0.00000000 0.25103423 1.0 Pd Pd19 1 0.73636778 0.00000000 0.25437253 1.0 Pd Pd20 1 0.00571959 0.73448116 0.74822627 1.0 Pd Pd21 1 0.00571959 0.26551884 0.74822627 1.0 Pd Pd22 1 0.23195193 0.50000000 0.74896577 1.0 Pd Pd23 1 0.76363222 0.50000000 0.74562747 1.0 Pd Pd24 1 0.49208310 0.34490745 0.86295836 1.0 Pd Pd25 1 0.49208310 0.65509255 0.86295836 1.0 Pd Pd26 1 0.85468287 0.00000000 0.85763471 1.0 Pd Pd27 1 0.16416100 0.00000000 0.86694540 1.0 Pd Pd28 1 0.00791690 0.15509255 0.13704164 1.0 Pd Pd29 1 0.00791690 0.84490745 0.13704164 1.0 Pd Pd30 1 0.64531713 0.50000000 0.14236529 1.0 Pd Pd31 1 0.33583900 0.50000000 0.13305460 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0