# generated using pymatgen data_Ca3Ge3Au8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54015100 _cell_length_b 9.61007500 _cell_length_c 13.53914747 _cell_angle_alpha 89.04327583 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ge3Au8 _chemical_formula_sum 'Ca6 Ge6 Au16' _cell_volume 590.64678509 _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 0.50000000 0.99852100 0.18904400 1.0 Ca Ca1 1 0.50000000 0.00147900 0.81095600 1.0 Ca Ca2 1 0.00000000 0.49476500 0.31213200 1.0 Ca Ca3 1 0.00000000 0.50523500 0.68786800 1.0 Ca Ca4 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca5 1 0.50000000 0.00000000 0.50000000 1.0 Ge Ge6 1 0.50000000 0.34874800 0.18040500 1.0 Ge Ge7 1 0.50000000 0.65125200 0.81959500 1.0 Ge Ge8 1 0.00000000 0.85022600 0.31487200 1.0 Ge Ge9 1 0.00000000 0.14977400 0.68512800 1.0 Ge Ge10 1 0.00000000 0.77929200 0.12588300 1.0 Ge Ge11 1 0.00000000 0.22070800 0.87411700 1.0 Au Au12 1 0.50000000 0.73599800 0.36229100 1.0 Au Au13 1 0.50000000 0.26400200 0.63770900 1.0 Au Au14 1 0.00000000 0.23870200 0.13661300 1.0 Au Au15 1 0.00000000 0.76129800 0.86338700 1.0 Au Au16 1 0.50000000 0.38675100 0.83953000 1.0 Au Au17 1 0.50000000 0.61324900 0.16047000 1.0 Au Au18 1 0.00000000 0.88966100 0.65919900 1.0 Au Au19 1 0.00000000 0.11033900 0.34080100 1.0 Au Au20 1 0.50000000 0.20563400 0.00357800 1.0 Au Au21 1 0.50000000 0.79436600 0.99642200 1.0 Au Au22 1 0.00000000 0.70354900 0.49599800 1.0 Au Au23 1 0.00000000 0.29645100 0.50400200 1.0 Au Au24 1 0.50000000 0.50000000 0.50000000 1.0 Au Au25 1 0.00000000 0.00000000 0.00000000 1.0 Au Au26 1 0.50000000 0.27988700 0.36824300 1.0 Au Au27 1 0.50000000 0.72011300 0.63175700 1.0