# generated using pymatgen data_PaAlCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11538306 _cell_length_b 5.11538254 _cell_length_c 5.11538291 _cell_angle_alpha 103.29154405 _cell_angle_beta 103.29154103 _cell_angle_gamma 122.69642684 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaAlCu5 _chemical_formula_sum 'Pa1 Al1 Cu5' _cell_volume 98.85151798 _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 Pa Pa0 1 0.00000000 0.00000000 0.00000000 1.0 Al Al1 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu2 1 0.69190271 0.30809729 0.00000000 1.0 Cu Cu3 1 0.30809729 0.69190271 1.00000000 1.0 Cu Cu4 1 0.30809729 0.30809729 0.61619559 1.0 Cu Cu5 1 0.69190271 0.69190271 0.38380441 1.0 Cu Cu6 1 0.75000000 0.25000000 0.50000000 1.0