# generated using pymatgen data_Ca3Ge3As3Pd20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78943990 _cell_length_b 8.80628679 _cell_length_c 8.83083232 _cell_angle_alpha 59.78146114 _cell_angle_beta 59.97055812 _cell_angle_gamma 60.24799526 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ge3As3Pd20 _chemical_formula_sum 'Ca3 Ge3 As3 Pd20' _cell_volume 483.31039008 _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 Ca Ca0 1 0.25044087 0.24955913 0.25044087 1.0 Ca Ca1 1 0.75044087 0.74955913 0.75044087 1.0 Ca Ca2 1 0.99953725 0.00046275 0.99953725 1.0 Ge Ge3 1 0.73384852 0.26615148 0.73384852 1.0 Ge Ge4 1 0.26700527 0.26564795 0.73435205 1.0 Ge Ge5 1 0.73435205 0.73299473 0.26700527 1.0 As As6 1 0.73619391 0.26380609 0.26486022 1.0 As As7 1 0.26486022 0.73513978 0.73619391 1.0 As As8 1 0.26443666 0.73556334 0.26443666 1.0 Pd Pd9 1 0.38437895 0.38381791 0.38471099 1.0 Pd Pd10 1 0.61615914 0.61601601 0.61654452 1.0 Pd Pd11 1 0.38398399 0.38384086 0.84872067 1.0 Pd Pd12 1 0.38471099 0.84709315 0.38437895 1.0 Pd Pd13 1 0.61618209 0.61562105 0.15290685 1.0 Pd Pd14 1 0.61654452 0.15127933 0.61615914 1.0 Pd Pd15 1 0.84872067 0.38345548 0.38398399 1.0 Pd Pd16 1 0.15290685 0.61528901 0.61618209 1.0 Pd Pd17 1 0.34992416 0.00081227 0.99918773 1.0 Pd Pd18 1 0.65192541 0.99913706 0.00086294 1.0 Pd Pd19 1 0.00086294 0.34807459 0.65192541 1.0 Pd Pd20 1 0.99918773 0.65007584 0.34992416 1.0 Pd Pd21 1 0.99984829 0.35025774 0.99670546 1.0 Pd Pd22 1 0.64974226 0.00015171 0.34681149 1.0 Pd Pd23 1 0.99670546 0.65318851 0.99984829 1.0 Pd Pd24 1 0.34681149 0.00329454 0.64974226 1.0 Pd Pd25 1 0.00048166 0.99951834 0.34855683 1.0 Pd Pd26 1 0.99901935 0.00098065 0.65223360 1.0 Pd Pd27 1 0.65223360 0.34776640 0.99901935 1.0 Pd Pd28 1 0.34855683 0.65144317 0.00048166 1.0