# generated using pymatgen data_Al(Ni3B2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96885402 _cell_length_b 8.96885402 _cell_length_c 14.55772300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.96285299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al(Ni3B2)4 _chemical_formula_sum 'Al6 Ni72 B48' _cell_volume 1113.94840051 _cell_formula_units_Z 6 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 0.00000000 0.00000000 0.00000000 1.0 Al Al1 1 0.50000000 0.50000000 0.50000000 1.0 Al Al2 1 0.76711200 0.23288800 0.26056000 1.0 Al Al3 1 0.73288800 0.26711200 0.76056000 1.0 Al Al4 1 0.23288800 0.76711200 0.73944000 1.0 Al Al5 1 0.26711200 0.73288800 0.23944000 1.0 Ni Ni6 1 0.92533700 0.07466300 0.42190500 1.0 Ni Ni7 1 0.57466300 0.42533700 0.92190500 1.0 Ni Ni8 1 0.07466300 0.92533700 0.57809500 1.0 Ni Ni9 1 0.42533700 0.57466300 0.07809500 1.0 Ni Ni10 1 0.13707900 0.86292100 0.12505900 1.0 Ni Ni11 1 0.36292100 0.63707900 0.62505900 1.0 Ni Ni12 1 0.86292100 0.13707900 0.87494100 1.0 Ni Ni13 1 0.63707900 0.36292100 0.37494100 1.0 Ni Ni14 1 0.88228100 0.11771900 0.13079300 1.0 Ni Ni15 1 0.61771900 0.38228100 0.63079300 1.0 Ni Ni16 1 0.11771900 0.88228100 0.86920700 1.0 Ni Ni17 1 0.38228100 0.61771900 0.36920700 1.0 Ni Ni18 1 0.01480800 0.48519200 0.25000000 1.0 Ni Ni19 1 0.48519200 0.01480800 0.75000000 1.0 Ni Ni20 1 0.98519200 0.51480800 0.75000000 1.0 Ni Ni21 1 0.51480800 0.98519200 0.25000000 1.0 Ni Ni22 1 0.46543300 0.20035700 0.49779900 1.0 Ni Ni23 1 0.03456700 0.29964300 0.99779900 1.0 Ni Ni24 1 0.20035700 0.46543300 0.50220100 1.0 Ni Ni25 1 0.29964300 0.03456700 0.00220100 1.0 Ni Ni26 1 0.53456700 0.79964300 0.50220100 1.0 Ni Ni27 1 0.96543300 0.70035700 0.00220100 1.0 Ni Ni28 1 0.79964300 0.53456700 0.49779900 1.0 Ni Ni29 1 0.70035700 0.96543300 0.99779900 1.0 Ni Ni30 1 0.17551900 0.15784000 0.13206600 1.0 Ni Ni31 1 0.32448100 0.34216000 0.63206600 1.0 Ni Ni32 1 0.15784000 0.17551900 0.86793400 1.0 Ni Ni33 1 0.34216000 0.32448100 0.36793400 1.0 Ni Ni34 1 0.82448100 0.84216000 0.86793400 1.0 Ni Ni35 1 0.67551900 0.65784000 0.36793400 1.0 Ni Ni36 1 0.84216000 0.82448100 0.13206600 1.0 Ni Ni37 1 0.65784000 0.67551900 0.63206600 1.0 Ni Ni38 1 0.24723000 0.02246400 0.26763200 1.0 Ni Ni39 1 0.25277000 0.47753600 0.76763200 1.0 Ni Ni40 1 0.02246400 0.24723000 0.73236800 1.0 Ni Ni41 1 0.47753600 0.25277000 0.23236800 1.0 Ni Ni42 1 0.75277000 0.97753600 0.73236800 1.0 Ni Ni43 1 0.74723000 0.52246400 0.23236800 1.0 Ni Ni44 1 0.97753600 0.75277000 0.26763200 1.0 Ni Ni45 1 0.52246400 0.74723000 0.76763200 1.0 Ni Ni46 1 0.20144800 0.06196300 0.43406000 1.0 Ni Ni47 1 0.29855200 0.43803700 0.93406000 1.0 Ni Ni48 1 0.06196300 0.20144800 0.56594000 1.0 Ni Ni49 1 0.43803700 0.29855200 0.06594000 1.0 Ni Ni50 1 0.79855200 0.93803700 0.56594000 1.0 Ni Ni51 1 0.70144800 0.56196300 0.06594000 1.0 Ni Ni52 1 0.93803700 0.79855200 0.43406000 1.0 Ni Ni53 1 0.56196300 0.70144800 0.93406000 1.0 Ni Ni54 1 0.04956700 0.21244800 0.27984300 1.0 Ni Ni55 1 0.45043300 0.28755200 0.77984300 1.0 Ni Ni56 1 0.21244800 0.04956700 0.72015700 1.0 Ni Ni57 1 0.28755200 0.45043300 0.22015700 1.0 Ni Ni58 1 0.95043300 0.78755200 0.72015700 1.0 Ni Ni59 1 0.54956700 0.71244800 0.22015700 1.0 Ni Ni60 1 0.78755200 0.95043300 0.27984300 1.0 Ni Ni61 1 0.71244800 0.54956700 0.77984300 1.0 Ni Ni62 1 0.91702900 0.34958300 0.41209700 1.0 Ni Ni63 1 0.58297100 0.15041700 0.91209700 1.0 Ni Ni64 1 0.34958300 0.91702900 0.58790300 1.0 Ni Ni65 1 0.15041700 0.58297100 0.08790300 1.0 Ni Ni66 1 0.08297100 0.65041700 0.58790300 1.0 Ni Ni67 1 0.41702900 0.84958300 0.08790300 1.0 Ni Ni68 1 0.65041700 0.08297100 0.41209700 1.0 Ni Ni69 1 0.84958300 0.41702900 0.91209700 1.0 Ni Ni70 1 0.37012500 0.89621800 0.39612000 1.0 Ni Ni71 1 0.12987500 0.60378200 0.89612000 1.0 Ni Ni72 1 0.89621800 0.37012500 0.60388000 1.0 Ni Ni73 1 0.60378200 0.12987500 0.10388000 1.0 Ni Ni74 1 0.62987500 0.10378200 0.60388000 1.0 Ni Ni75 1 0.87012500 0.39621800 0.10388000 1.0 Ni Ni76 1 0.10378200 0.62987500 0.39612000 1.0 Ni Ni77 1 0.39621800 0.87012500 0.89612000 1.0 B B78 1 0.17380100 0.82619900 0.48168100 1.0 B B79 1 0.32619900 0.67380100 0.98168100 1.0 B B80 1 0.82619900 0.17380100 0.51831900 1.0 B B81 1 0.67380100 0.32619900 0.01831900 1.0 B B82 1 0.29498500 0.70501500 0.49806000 1.0 B B83 1 0.20501500 0.79498500 0.99806000 1.0 B B84 1 0.70501500 0.29498500 0.50194000 1.0 B B85 1 0.79498500 0.20501500 0.00194000 1.0 B B86 1 0.72713000 0.72713000 0.50000000 1.0 B B87 1 0.77287000 0.77287000 0.00000000 1.0 B B88 1 0.27287000 0.27287000 0.50000000 1.0 B B89 1 0.22713000 0.22713000 0.00000000 1.0 B B90 1 0.11635600 0.26565900 0.42115900 1.0 B B91 1 0.38364400 0.23434100 0.92115900 1.0 B B92 1 0.26565900 0.11635600 0.57884100 1.0 B B93 1 0.23434100 0.38364400 0.07884100 1.0 B B94 1 0.88364400 0.73434100 0.57884100 1.0 B B95 1 0.61635600 0.76565900 0.07884100 1.0 B B96 1 0.73434100 0.88364400 0.42115900 1.0 B B97 1 0.76565900 0.61635600 0.92115900 1.0 B B98 1 0.00990900 0.99009100 0.20560300 1.0 B B99 1 0.49009100 0.50990900 0.70560300 1.0 B B100 1 0.99009100 0.00990900 0.79439700 1.0 B B101 1 0.50990900 0.49009100 0.29439700 1.0 B B102 1 0.02509700 0.97490300 0.32641400 1.0 B B103 1 0.47490300 0.52509700 0.82641400 1.0 B B104 1 0.97490300 0.02509700 0.67358600 1.0 B B105 1 0.52509700 0.47490300 0.17358600 1.0 B B106 1 0.14376100 0.85623900 0.36114000 1.0 B B107 1 0.35623900 0.64376100 0.86114000 1.0 B B108 1 0.85623900 0.14376100 0.63886000 1.0 B B109 1 0.64376100 0.35623900 0.13886000 1.0 B B110 1 0.06440300 0.33951100 0.15199500 1.0 B B111 1 0.43559700 0.16048900 0.65199500 1.0 B B112 1 0.33951100 0.06440300 0.84800500 1.0 B B113 1 0.16048900 0.43559700 0.34800500 1.0 B B114 1 0.93559700 0.66048900 0.84800500 1.0 B B115 1 0.56440300 0.83951100 0.34800500 1.0 B B116 1 0.66048900 0.93559700 0.15199500 1.0 B B117 1 0.83951100 0.56440300 0.65199500 1.0 B B118 1 0.44609200 0.13471200 0.35736500 1.0 B B119 1 0.05390800 0.36528800 0.85736500 1.0 B B120 1 0.13471200 0.44609200 0.64263500 1.0 B B121 1 0.36528800 0.05390800 0.14263500 1.0 B B122 1 0.55390800 0.86528800 0.64263500 1.0 B B123 1 0.94609200 0.63471200 0.14263500 1.0 B B124 1 0.86528800 0.55390800 0.35736500 1.0 B B125 1 0.63471200 0.94609200 0.85736500 1.0