# generated using pymatgen data_Ca13(Ge11Au25)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.94534761 _cell_length_b 12.94534761 _cell_length_c 12.94534761 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca13(Ge11Au25)2 _chemical_formula_sum 'Ca13 Ge22 Au50' _cell_volume 1670.01072277 _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 -0.00000000 -0.00000000 -0.00000000 1.0 Ca Ca1 1 0.30624492 0.11746583 0.81122091 1.0 Ca Ca2 1 0.69375508 0.88253417 0.18877909 1.0 Ca Ca3 1 0.69375508 0.50497599 0.81122091 1.0 Ca Ca4 1 0.30624492 0.49502401 0.18877909 1.0 Ca Ca5 1 0.11746583 0.81122091 0.30624492 1.0 Ca Ca6 1 0.88253417 0.18877909 0.69375508 1.0 Ca Ca7 1 0.50497599 0.81122091 0.69375508 1.0 Ca Ca8 1 0.49502401 0.18877909 0.30624492 1.0 Ca Ca9 1 0.81122091 0.30624492 0.11746583 1.0 Ca Ca10 1 0.18877909 0.69375508 0.88253417 1.0 Ca Ca11 1 0.81122091 0.69375508 0.50497599 1.0 Ca Ca12 1 0.18877909 0.30624492 0.49502401 1.0 Ge Ge13 1 0.08668158 0.85620853 0.76952695 1.0 Ge Ge14 1 0.91331842 0.14379147 0.23047305 1.0 Ge Ge15 1 0.91331842 0.68284537 0.76952695 1.0 Ge Ge16 1 0.08668158 0.31715463 0.23047305 1.0 Ge Ge17 1 0.85620853 0.76952695 0.08668158 1.0 Ge Ge18 1 0.14379147 0.23047305 0.91331842 1.0 Ge Ge19 1 0.68284537 0.76952695 0.91331842 1.0 Ge Ge20 1 0.31715463 0.23047305 0.08668158 1.0 Ge Ge21 1 0.76952695 0.08668158 0.85620853 1.0 Ge Ge22 1 0.23047305 0.91331842 0.14379147 1.0 Ge Ge23 1 0.76952695 0.91331842 0.68284537 1.0 Ge Ge24 1 0.23047305 0.08668158 0.31715463 1.0 Ge Ge25 1 0.30096148 0.50000000 0.80096148 1.0 Ge Ge26 1 0.69903852 0.50000000 0.19903852 1.0 Ge Ge27 1 0.50000000 0.80096148 0.30096148 1.0 Ge Ge28 1 0.50000000 0.19903852 0.69903852 1.0 Ge Ge29 1 0.80096148 0.30096148 0.50000000 1.0 Ge Ge30 1 0.19903852 0.69903852 0.50000000 1.0 Ge Ge31 1 -0.00000000 -0.00000000 0.50000000 1.0 Ge Ge32 1 0.50000000 -0.00000000 -0.00000000 1.0 Ge Ge33 1 -0.00000000 0.50000000 -0.00000000 1.0 Ge Ge34 1 0.50000000 0.50000000 0.50000000 1.0 Au Au35 1 0.09302165 0.85989974 0.55988110 1.0 Au Au36 1 0.69998136 0.14010026 0.23312191 1.0 Au Au37 1 0.90697835 0.46685945 0.76687809 1.0 Au Au38 1 0.30001864 0.53314055 0.44011890 1.0 Au Au39 1 0.85989974 0.55988110 0.09302165 1.0 Au Au40 1 0.14010026 0.23312191 0.69998136 1.0 Au Au41 1 0.46685945 0.76687809 0.90697835 1.0 Au Au42 1 0.53314055 0.44011890 0.30001864 1.0 Au Au43 1 0.55988110 0.09302165 0.85989974 1.0 Au Au44 1 0.23312191 0.69998136 0.14010026 1.0 Au Au45 1 0.76687809 0.90697835 0.46685945 1.0 Au Au46 1 0.44011890 0.30001864 0.53314055 1.0 Au Au47 1 0.90697835 0.14010026 0.44011890 1.0 Au Au48 1 0.30001864 0.85989974 0.76687809 1.0 Au Au49 1 0.09302165 0.53314055 0.23312191 1.0 Au Au50 1 0.69998136 0.46685945 0.55988110 1.0 Au Au51 1 0.14010026 0.44011890 0.90697835 1.0 Au Au52 1 0.85989974 0.76687809 0.30001864 1.0 Au Au53 1 0.53314055 0.23312191 0.09302165 1.0 Au Au54 1 0.46685945 0.55988110 0.69998136 1.0 Au Au55 1 0.44011890 0.90697835 0.14010026 1.0 Au Au56 1 0.76687809 0.30001864 0.85989974 1.0 Au Au57 1 0.23312191 0.09302165 0.53314055 1.0 Au Au58 1 0.55988110 0.69998136 0.46685945 1.0 Au Au59 1 0.35470737 0.95203138 0.59732401 1.0 Au Au60 1 0.64529263 0.04796862 0.40267599 1.0 Au Au61 1 0.64529263 0.24261664 0.59732401 1.0 Au Au62 1 0.35470737 0.75738336 0.40267599 1.0 Au Au63 1 0.95203138 0.59732401 0.35470737 1.0 Au Au64 1 0.04796862 0.40267599 0.64529263 1.0 Au Au65 1 0.24261664 0.59732401 0.64529263 1.0 Au Au66 1 0.75738336 0.40267599 0.35470737 1.0 Au Au67 1 0.59732401 0.35470737 0.95203138 1.0 Au Au68 1 0.40267599 0.64529263 0.04796862 1.0 Au Au69 1 0.59732401 0.64529263 0.24261664 1.0 Au Au70 1 0.40267599 0.35470737 0.75738336 1.0 Au Au71 1 -0.00000000 -0.00000000 0.71662940 1.0 Au Au72 1 0.71662940 0.00000000 0.00000000 1.0 Au Au73 1 -0.00000000 0.71662940 -0.00000000 1.0 Au Au74 1 0.28337060 0.28337060 0.28337060 1.0 Au Au75 1 -0.00000000 0.00000000 0.28337060 1.0 Au Au76 1 0.28337060 -0.00000000 -0.00000000 1.0 Au Au77 1 0.00000000 0.28337060 0.00000000 1.0 Au Au78 1 0.71662940 0.71662940 0.71662940 1.0 Au Au79 1 0.60037518 0.00000000 0.60037518 1.0 Au Au80 1 0.39962482 -0.00000000 0.39962482 1.0 Au Au81 1 0.00000000 0.60037518 0.60037518 1.0 Au Au82 1 -0.00000000 0.39962482 0.39962482 1.0 Au Au83 1 0.60037518 0.60037518 -0.00000000 1.0 Au Au84 1 0.39962482 0.39962482 -0.00000000 1.0