# generated using pymatgen data_Al2Cu(Ni10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33218105 _cell_length_b 7.33218115 _cell_length_c 7.33218122 _cell_angle_alpha 59.99999967 _cell_angle_beta 59.99999921 _cell_angle_gamma 60.00000246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Cu(Ni10B3)2 _chemical_formula_sum 'Al2 Cu1 Ni20 B6' _cell_volume 278.73054449 _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 Al Al0 1 0.25000000 0.25000000 0.25000000 1.0 Al Al1 1 0.75000000 0.75000000 0.75000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.38244208 0.38244208 0.38244208 1.0 Ni Ni4 1 0.61755792 0.61755792 0.61755792 1.0 Ni Ni5 1 0.38244208 0.38244208 0.85267376 1.0 Ni Ni6 1 0.38244208 0.85267376 0.38244208 1.0 Ni Ni7 1 0.61755792 0.61755792 0.14732624 1.0 Ni Ni8 1 0.61755792 0.14732624 0.61755792 1.0 Ni Ni9 1 0.85267376 0.38244208 0.38244208 1.0 Ni Ni10 1 0.14732624 0.61755792 0.61755792 1.0 Ni Ni11 1 0.33848651 1.00000000 0.00000000 1.0 Ni Ni12 1 0.66151349 0.00000000 1.00000000 1.0 Ni Ni13 1 1.00000000 0.33848651 0.66151349 1.0 Ni Ni14 1 0.00000000 0.66151349 0.33848651 1.0 Ni Ni15 1 1.00000000 0.33848651 0.00000000 1.0 Ni Ni16 1 0.66151349 0.00000000 0.33848651 1.0 Ni Ni17 1 0.00000000 0.66151349 1.00000000 1.0 Ni Ni18 1 0.33848651 1.00000000 0.66151349 1.0 Ni Ni19 1 0.00000000 0.00000000 0.33848651 1.0 Ni Ni20 1 0.00000000 0.00000000 0.66151349 1.0 Ni Ni21 1 0.66151349 0.33848651 1.00000000 1.0 Ni Ni22 1 0.33848651 0.66151349 0.00000000 1.0 B B23 1 0.72671487 0.27328513 0.27328513 1.0 B B24 1 0.27328513 0.72671487 0.72671487 1.0 B B25 1 0.27328513 0.72671487 0.27328513 1.0 B B26 1 0.72671487 0.27328513 0.72671487 1.0 B B27 1 0.27328513 0.27328513 0.72671487 1.0 B B28 1 0.72671487 0.72671487 0.27328513 1.0