# generated using pymatgen data_Ca4Cu3As4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12400075 _cell_length_b 4.14047264 _cell_length_c 7.25941117 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99432968 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Cu3As4Pd _chemical_formula_sum 'Ca4 Cu3 As4 Pd1' _cell_volume 244.18628444 _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 0.99767173 0.25000100 0.24716880 1.0 Ca Ca1 1 0.50202877 0.25000100 0.24847552 1.0 Ca Ca2 1 0.49809744 0.74999900 0.75213259 1.0 Ca Ca3 1 0.00200941 0.74999900 0.75334822 1.0 Cu Cu4 1 0.24918451 0.74999900 0.41465513 1.0 Cu Cu5 1 0.75070491 0.25000100 0.58268983 1.0 Cu Cu6 1 0.25055198 0.25000100 0.91503126 1.0 As As7 1 0.25023795 0.74999900 0.08445915 1.0 As As8 1 0.75054250 0.74999900 0.42736563 1.0 As As9 1 0.24984304 0.25000100 0.58339994 1.0 As As10 1 0.74961733 0.25000100 0.90523395 1.0 Pd Pd11 1 0.74950744 0.74999900 0.08603997 1.0