# generated using pymatgen data_Ba2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.04737932 _cell_length_b 12.61104308 _cell_length_c 12.61104242 _cell_angle_alpha 60.86327076 _cell_angle_beta 61.46784000 _cell_angle_gamma 61.46784269 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CuPd _chemical_formula_sum 'Ba2 Cu1 Pd1' _cell_volume 1393.28849774 _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 Ba Ba0 1 0.73703555 0.00000000 0.00000000 1.0 Ba Ba1 1 0.26296445 1.00000000 1.00000000 1.0 Cu Cu2 1 -0.00000000 0.00000000 -0.00000000 1.0 Pd Pd3 1 0.50000000 0.00000000 -0.00000000 1.0