# generated using pymatgen data_Al5Ni41B12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82032891 _cell_length_b 12.82032891 _cell_length_c 12.82032879 _cell_angle_alpha 33.53164431 _cell_angle_beta 33.53164431 _cell_angle_gamma 33.53164512 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Ni41B12 _chemical_formula_sum 'Al5 Ni41 B12' _cell_volume 572.69771236 _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 0.62508700 0.62508700 0.62508700 1.0 Al Al1 1 0.12502000 0.12502000 0.12502000 1.0 Al Al2 1 0.87498000 0.87498000 0.87498000 1.0 Al Al3 1 0.37491300 0.37491300 0.37491300 1.0 Al Al4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.83841100 0.16158900 1.0 Ni Ni6 1 0.00000000 0.33742300 0.66257700 1.0 Ni Ni7 1 0.16158900 0.83841100 0.50000000 1.0 Ni Ni8 1 0.66257700 0.33742300 0.00000000 1.0 Ni Ni9 1 0.83226400 0.16755700 0.83226400 1.0 Ni Ni10 1 0.32993200 0.66992100 0.32993200 1.0 Ni Ni11 1 0.00000000 0.66257700 0.33742300 1.0 Ni Ni12 1 0.50000000 0.16158900 0.83841100 1.0 Ni Ni13 1 0.83226400 0.83226400 0.16755700 1.0 Ni Ni14 1 0.32993200 0.32993200 0.66992100 1.0 Ni Ni15 1 0.66257700 0.00000000 0.33742300 1.0 Ni Ni16 1 0.16158900 0.50000000 0.83841100 1.0 Ni Ni17 1 0.33007900 0.67006800 0.67006800 1.0 Ni Ni18 1 0.83244300 0.16773600 0.16773600 1.0 Ni Ni19 1 0.67006800 0.67006800 0.33007900 1.0 Ni Ni20 1 0.16773600 0.16773600 0.83244300 1.0 Ni Ni21 1 0.67006800 0.33007900 0.67006800 1.0 Ni Ni22 1 0.16773600 0.83244300 0.16773600 1.0 Ni Ni23 1 0.16755700 0.83226400 0.83226400 1.0 Ni Ni24 1 0.66992100 0.32993200 0.32993200 1.0 Ni Ni25 1 0.33742300 0.66257700 0.00000000 1.0 Ni Ni26 1 0.83841100 0.16158900 0.50000000 1.0 Ni Ni27 1 0.83841100 0.50000000 0.16158900 1.0 Ni Ni28 1 0.33742300 0.00000000 0.66257700 1.0 Ni Ni29 1 0.42636000 0.95566200 0.42636000 1.0 Ni Ni30 1 0.92654800 0.45590900 0.92654800 1.0 Ni Ni31 1 0.42636000 0.42636000 0.95566200 1.0 Ni Ni32 1 0.92654800 0.92654800 0.45590900 1.0 Ni Ni33 1 0.19104800 0.19104800 0.19104800 1.0 Ni Ni34 1 0.69131500 0.69131500 0.69131500 1.0 Ni Ni35 1 0.95566200 0.42636000 0.42636000 1.0 Ni Ni36 1 0.45590900 0.92654800 0.92654800 1.0 Ni Ni37 1 0.07345200 0.54409100 0.07345200 1.0 Ni Ni38 1 0.57364000 0.04433800 0.57364000 1.0 Ni Ni39 1 0.07345200 0.07345200 0.54409100 1.0 Ni Ni40 1 0.57364000 0.57364000 0.04433800 1.0 Ni Ni41 1 0.30868500 0.30868500 0.30868500 1.0 Ni Ni42 1 0.80895200 0.80895200 0.80895200 1.0 Ni Ni43 1 0.54409100 0.07345200 0.07345200 1.0 Ni Ni44 1 0.04433800 0.57364000 0.57364000 1.0 Ni Ni45 1 0.00000000 0.00000000 0.00000000 1.0 B B46 1 0.36300100 0.91088300 0.36300100 1.0 B B47 1 0.86332100 0.40960200 0.86332100 1.0 B B48 1 0.59039800 0.13667900 0.13667900 1.0 B B49 1 0.08911700 0.63699900 0.63699900 1.0 B B50 1 0.13667900 0.13667900 0.59039800 1.0 B B51 1 0.63699900 0.63699900 0.08911700 1.0 B B52 1 0.13667900 0.59039800 0.13667900 1.0 B B53 1 0.63699900 0.08911700 0.63699900 1.0 B B54 1 0.36300100 0.36300100 0.91088300 1.0 B B55 1 0.86332100 0.86332100 0.40960200 1.0 B B56 1 0.91088300 0.36300100 0.36300100 1.0 B B57 1 0.40960200 0.86332100 0.86332100 1.0