# generated using pymatgen data_Ca4Cd3In5Au6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40926993 _cell_length_b 12.89663223 _cell_length_c 14.73252884 _cell_angle_alpha 90.12840660 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Cd3In5Au6 _chemical_formula_sum 'Ca8 Cd6 In10 Au12' _cell_volume 837.75921161 _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 0.75000000 0.21788606 0.52125420 1.0 Ca Ca1 1 0.75000000 0.41336264 0.29247181 1.0 Ca Ca2 1 0.25000000 0.78470231 0.47656150 1.0 Ca Ca3 1 0.25000000 0.71401777 0.97439993 1.0 Ca Ca4 1 0.75000000 0.28453867 0.02509613 1.0 Ca Ca5 1 0.25000000 0.58790158 0.70848572 1.0 Ca Ca6 1 0.75000000 0.08434146 0.79157734 1.0 Ca Ca7 1 0.25000000 0.91446162 0.20942638 1.0 Cd Cd8 1 0.75000000 0.71716008 0.31791427 1.0 Cd Cd9 1 0.25000000 0.21663198 0.18058990 1.0 Cd Cd10 1 0.75000000 0.36402056 0.80821721 1.0 Cd Cd11 1 0.25000000 0.41320072 0.49711695 1.0 Cd Cd12 1 0.75000000 0.96073095 0.57207292 1.0 Cd Cd13 1 0.75000000 0.78395342 0.81618243 1.0 In In14 1 0.25000000 0.28876761 0.68332654 1.0 In In15 1 0.75000000 0.53934074 0.07048396 1.0 In In16 1 0.75000000 0.58366640 0.50262822 1.0 In In17 1 0.25000000 0.03943294 0.43213184 1.0 In In18 1 0.75000000 0.91195561 0.00149600 1.0 In In19 1 0.25000000 0.63453536 0.19639269 1.0 In In20 1 0.25000000 0.45790157 0.92608790 1.0 In In21 1 0.75000000 0.13197758 0.30315167 1.0 In In22 1 0.25000000 0.08479473 0.99909068 1.0 In In23 1 0.25000000 0.87034854 0.69344649 1.0 Au Au24 1 0.75000000 0.75244527 0.12480466 1.0 Au Au25 1 0.75000000 0.92203211 0.37392602 1.0 Au Au26 1 0.25000000 0.08387952 0.62717262 1.0 Au Au27 1 0.75000000 0.74650304 0.62548041 1.0 Au Au28 1 0.75000000 0.57900057 0.87341817 1.0 Au Au29 1 0.25000000 0.92168155 0.87521283 1.0 Au Au30 1 0.75000000 0.42142131 0.62644852 1.0 Au Au31 1 0.25000000 0.24250348 0.87419222 1.0 Au Au32 1 0.25000000 0.58028801 0.37701846 1.0 Au Au33 1 0.25000000 0.25141431 0.37282852 1.0 Au Au34 1 0.75000000 0.07669655 0.12356065 1.0 Au Au35 1 0.25000000 0.42250442 0.12633424 1.0