# generated using pymatgen data_Ca3Ge2Au9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47896049 _cell_length_b 9.40312879 _cell_length_c 13.60952009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ge2Au9 _chemical_formula_sum 'Ca6 Ge4 Au18' _cell_volume 573.18184614 _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 -0.00000000 0.99303969 0.18672808 1.0 Ca Ca1 1 -0.00000000 0.00696031 0.81327192 1.0 Ca Ca2 1 0.50000000 0.50696031 0.68672808 1.0 Ca Ca3 1 0.50000000 0.49303969 0.31327192 1.0 Ca Ca4 1 0.00000000 -0.00000000 0.50000000 1.0 Ca Ca5 1 0.50000000 0.50000000 0.00000000 1.0 Ge Ge6 1 0.00000000 0.33963025 0.18363136 1.0 Ge Ge7 1 -0.00000000 0.66036975 0.81636864 1.0 Ge Ge8 1 0.50000000 0.16036975 0.68363136 1.0 Ge Ge9 1 0.50000000 0.83963025 0.31636864 1.0 Au Au10 1 -0.00000000 0.20893634 0.00184261 1.0 Au Au11 1 0.00000000 0.79106366 0.99815739 1.0 Au Au12 1 0.50000000 0.29106366 0.50184261 1.0 Au Au13 1 0.50000000 0.70893634 0.49815739 1.0 Au Au14 1 0.00000000 0.27681588 0.36594183 1.0 Au Au15 1 -0.00000000 0.72318412 0.63405817 1.0 Au Au16 1 0.50000000 0.22318412 0.86594183 1.0 Au Au17 1 0.50000000 0.77681588 0.13405817 1.0 Au Au18 1 0.00000000 0.26315584 0.63349847 1.0 Au Au19 1 -0.00000000 0.73684416 0.36650153 1.0 Au Au20 1 0.50000000 0.23684416 0.13349847 1.0 Au Au21 1 0.50000000 0.76315584 0.86650153 1.0 Au Au22 1 0.00000000 0.60030854 0.15856722 1.0 Au Au23 1 0.00000000 0.39969146 0.84143278 1.0 Au Au24 1 0.50000000 0.89969146 0.65856722 1.0 Au Au25 1 0.50000000 0.10030854 0.34143278 1.0 Au Au26 1 0.50000000 -0.00000000 0.00000000 1.0 Au Au27 1 -0.00000000 0.50000000 0.50000000 1.0