# generated using pymatgen data_Ca6Cd32Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73038500 _cell_length_b 9.73038500 _cell_length_c 9.73038500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Cd32Cu _chemical_formula_sum 'Ca6 Cd32 Cu1' _cell_volume 921.27666853 _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 0.20340300 0.00000000 0.50000000 1.0 Ca Ca1 1 0.79659700 0.00000000 0.50000000 1.0 Ca Ca2 1 0.50000000 0.20340300 0.00000000 1.0 Ca Ca3 1 0.50000000 0.79659700 0.00000000 1.0 Ca Ca4 1 0.00000000 0.50000000 0.20340300 1.0 Ca Ca5 1 0.00000000 0.50000000 0.79659700 1.0 Cd Cd6 1 0.32146500 0.50000000 0.00000000 1.0 Cd Cd7 1 0.67853500 0.50000000 0.00000000 1.0 Cd Cd8 1 0.00000000 0.32146500 0.50000000 1.0 Cd Cd9 1 0.00000000 0.67853500 0.50000000 1.0 Cd Cd10 1 0.50000000 0.00000000 0.32146500 1.0 Cd Cd11 1 0.50000000 0.00000000 0.67853500 1.0 Cd Cd12 1 0.28077200 0.28077200 0.28077200 1.0 Cd Cd13 1 0.71922800 0.71922800 0.71922800 1.0 Cd Cd14 1 0.71922800 0.71922800 0.28077200 1.0 Cd Cd15 1 0.71922800 0.28077200 0.71922800 1.0 Cd Cd16 1 0.28077200 0.28077200 0.71922800 1.0 Cd Cd17 1 0.28077200 0.71922800 0.28077200 1.0 Cd Cd18 1 0.28077200 0.71922800 0.71922800 1.0 Cd Cd19 1 0.71922800 0.28077200 0.28077200 1.0 Cd Cd20 1 0.25745900 0.50000000 0.50000000 1.0 Cd Cd21 1 0.74254100 0.50000000 0.50000000 1.0 Cd Cd22 1 0.50000000 0.25745900 0.50000000 1.0 Cd Cd23 1 0.50000000 0.74254100 0.50000000 1.0 Cd Cd24 1 0.50000000 0.50000000 0.25745900 1.0 Cd Cd25 1 0.50000000 0.50000000 0.74254100 1.0 Cd Cd26 1 0.00000000 0.14944300 0.25844600 1.0 Cd Cd27 1 0.00000000 0.85055700 0.74155400 1.0 Cd Cd28 1 0.00000000 0.85055700 0.25844600 1.0 Cd Cd29 1 0.00000000 0.14944300 0.74155400 1.0 Cd Cd30 1 0.25844600 0.00000000 0.14944300 1.0 Cd Cd31 1 0.74155400 0.00000000 0.85055700 1.0 Cd Cd32 1 0.25844600 0.00000000 0.85055700 1.0 Cd Cd33 1 0.74155400 0.00000000 0.14944300 1.0 Cd Cd34 1 0.14944300 0.25844600 0.00000000 1.0 Cd Cd35 1 0.85055700 0.74155400 0.00000000 1.0 Cd Cd36 1 0.14944300 0.74155400 0.00000000 1.0 Cd Cd37 1 0.85055700 0.25844600 0.00000000 1.0 Cu Cu38 1 0.00000000 0.00000000 0.00000000 1.0