# generated using pymatgen data_Nb4AlGa5Cu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08879498 _cell_length_b 5.08465957 _cell_length_c 7.97351494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.02690140 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4AlGa5Cu2 _chemical_formula_sum 'Nb4 Al1 Ga5 Cu2' _cell_volume 178.62386757 _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 Nb Nb0 1 0.66697780 0.33395661 0.06799940 1.0 Nb Nb1 1 0.66697780 0.33395661 0.43200060 1.0 Nb Nb2 1 0.33285526 0.66571253 0.56849782 1.0 Nb Nb3 1 0.33285526 0.66571253 0.93150318 1.0 Al Al4 1 0.83158372 0.66316844 0.75000000 1.0 Ga Ga5 1 0.16949081 0.33898162 0.25000000 1.0 Ga Ga6 1 0.16993130 0.82988602 0.25000000 1.0 Ga Ga7 1 0.65995371 0.82988602 0.25000000 1.0 Ga Ga8 1 0.34071310 0.17117205 0.75000000 1.0 Ga Ga9 1 0.83045995 0.17117205 0.75000000 1.0 Cu Cu10 1 0.99909813 0.99819626 0.99964467 1.0 Cu Cu11 1 0.99909813 0.99819626 0.50035633 1.0