# generated using pymatgen data_Al2Cu11B13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92590173 _cell_length_b 7.92590173 _cell_length_c 7.92590173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Cu11B13 _chemical_formula_sum 'Al4 Cu22 B26' _cell_volume 497.90449861 _cell_formula_units_Z 2 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 Al Al0 1 0.61874626 0.61874626 0.61874626 1.0 Al Al1 1 0.38125374 0.38125374 0.61874626 1.0 Al Al2 1 0.38125374 0.61874626 0.38125374 1.0 Al Al3 1 0.61874626 0.38125374 0.38125374 1.0 Cu Cu4 1 0.14803943 0.14803943 0.53569929 1.0 Cu Cu5 1 0.85196057 0.85196057 0.53569929 1.0 Cu Cu6 1 0.85196057 0.14803943 0.46430071 1.0 Cu Cu7 1 0.53569929 0.14803943 0.14803943 1.0 Cu Cu8 1 0.14803943 0.85196057 0.46430071 1.0 Cu Cu9 1 0.53569929 0.85196057 0.85196057 1.0 Cu Cu10 1 0.46430071 0.85196057 0.14803943 1.0 Cu Cu11 1 0.46430071 0.14803943 0.85196057 1.0 Cu Cu12 1 0.14803943 0.53569929 0.14803943 1.0 Cu Cu13 1 0.14803943 0.46430071 0.85196057 1.0 Cu Cu14 1 0.85196057 0.46430071 0.14803943 1.0 Cu Cu15 1 0.85196057 0.53569929 0.85196057 1.0 Cu Cu16 1 0.29397469 0.29397469 0.29397469 1.0 Cu Cu17 1 0.70602531 0.70602531 0.29397469 1.0 Cu Cu18 1 0.70602531 0.29397469 0.70602531 1.0 Cu Cu19 1 0.29397469 0.70602531 0.70602531 1.0 Cu Cu20 1 0.14064353 0.50000000 0.50000000 1.0 Cu Cu21 1 0.85935647 0.50000000 0.50000000 1.0 Cu Cu22 1 0.50000000 0.14064353 0.50000000 1.0 Cu Cu23 1 0.50000000 0.85935647 0.50000000 1.0 Cu Cu24 1 0.50000000 0.50000000 0.14064353 1.0 Cu Cu25 1 0.50000000 0.50000000 0.85935647 1.0 B B26 1 0.77272386 0.77272386 0.77272386 1.0 B B27 1 0.22727614 0.22727614 0.77272386 1.0 B B28 1 0.22727614 0.77272386 0.22727614 1.0 B B29 1 0.77272386 0.22727614 0.22727614 1.0 B B30 1 0.27487144 0.00000000 0.00000000 1.0 B B31 1 0.72512856 0.00000000 0.00000000 1.0 B B32 1 0.00000000 0.27487144 0.00000000 1.0 B B33 1 0.00000000 0.72512856 0.00000000 1.0 B B34 1 0.00000000 0.00000000 0.27487144 1.0 B B35 1 0.00000000 0.00000000 0.72512856 1.0 B B36 1 0.13483058 0.13483058 0.13483058 1.0 B B37 1 0.86516942 0.86516942 0.13483058 1.0 B B38 1 0.86516942 0.13483058 0.86516942 1.0 B B39 1 0.13483058 0.86516942 0.86516942 1.0 B B40 1 0.25753907 0.25753907 -0.00140478 1.0 B B41 1 0.74246093 0.74246093 -0.00140478 1.0 B B42 1 0.74246093 0.25753907 0.00140478 1.0 B B43 1 -0.00140478 0.25753907 0.25753907 1.0 B B44 1 0.25753907 0.74246093 0.00140478 1.0 B B45 1 -0.00140478 0.74246093 0.74246093 1.0 B B46 1 0.00140478 0.74246093 0.25753907 1.0 B B47 1 0.00140478 0.25753907 0.74246093 1.0 B B48 1 0.25753907 -0.00140478 0.25753907 1.0 B B49 1 0.25753907 0.00140478 0.74246093 1.0 B B50 1 0.74246093 0.00140478 0.25753907 1.0 B B51 1 0.74246093 -0.00140478 0.74246093 1.0