# generated using pymatgen data_Y2(Ni5B3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82121428 _cell_length_b 9.82121428 _cell_length_c 11.24512600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.89994947 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2(Ni5B3)3 _chemical_formula_sum 'Y8 Ni60 B36' _cell_volume 1032.15923494 _cell_formula_units_Z 4 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 Y Y0 1 0.25946400 0.25946400 0.95866400 1.0 Y Y1 1 0.74053600 0.74053600 0.04133600 1.0 Y Y2 1 0.24053600 0.24053600 0.45866400 1.0 Y Y3 1 0.75946400 0.75946400 0.54133600 1.0 Y Y4 1 0.19172400 0.69172400 0.75000000 1.0 Y Y5 1 0.30827600 0.80827600 0.25000000 1.0 Y Y6 1 0.80827600 0.30827600 0.25000000 1.0 Y Y7 1 0.69172400 0.19172400 0.75000000 1.0 Ni Ni8 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni11 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni12 1 0.23344600 0.23344600 0.71190100 1.0 Ni Ni13 1 0.76655400 0.76655400 0.28809900 1.0 Ni Ni14 1 0.26655400 0.26655400 0.21190100 1.0 Ni Ni15 1 0.73344600 0.73344600 0.78809900 1.0 Ni Ni16 1 0.93182500 0.43182500 0.75000000 1.0 Ni Ni17 1 0.56817500 0.06817500 0.25000000 1.0 Ni Ni18 1 0.06817500 0.56817500 0.25000000 1.0 Ni Ni19 1 0.43182500 0.93182500 0.75000000 1.0 Ni Ni20 1 0.99020200 0.18331100 0.83964300 1.0 Ni Ni21 1 0.81668900 0.00979800 0.16035700 1.0 Ni Ni22 1 0.31668900 0.50979800 0.33964300 1.0 Ni Ni23 1 0.49020200 0.68331100 0.66035700 1.0 Ni Ni24 1 0.00979800 0.81668900 0.16035700 1.0 Ni Ni25 1 0.18331100 0.99020200 0.83964300 1.0 Ni Ni26 1 0.68331100 0.49020200 0.66035700 1.0 Ni Ni27 1 0.50979800 0.31668900 0.33964300 1.0 Ni Ni28 1 0.25661300 0.47163600 0.59745800 1.0 Ni Ni29 1 0.52836400 0.74338700 0.40254200 1.0 Ni Ni30 1 0.02836400 0.24338700 0.09745800 1.0 Ni Ni31 1 0.75661300 0.97163600 0.90254200 1.0 Ni Ni32 1 0.74338700 0.52836400 0.40254200 1.0 Ni Ni33 1 0.47163600 0.25661300 0.59745800 1.0 Ni Ni34 1 0.97163600 0.75661300 0.90254200 1.0 Ni Ni35 1 0.24338700 0.02836400 0.09745800 1.0 Ni Ni36 1 0.99464900 0.22689500 0.61823600 1.0 Ni Ni37 1 0.77310500 0.00535100 0.38176400 1.0 Ni Ni38 1 0.27310500 0.50535100 0.11823600 1.0 Ni Ni39 1 0.49464900 0.72689500 0.88176400 1.0 Ni Ni40 1 0.00535100 0.77310500 0.38176400 1.0 Ni Ni41 1 0.22689500 0.99464900 0.61823600 1.0 Ni Ni42 1 0.72689500 0.49464900 0.88176400 1.0 Ni Ni43 1 0.50535100 0.27310500 0.11823600 1.0 Ni Ni44 1 0.10629200 0.44680400 0.91502400 1.0 Ni Ni45 1 0.55319600 0.89370800 0.08497600 1.0 Ni Ni46 1 0.05319600 0.39370800 0.41502400 1.0 Ni Ni47 1 0.60629200 0.94680400 0.58497600 1.0 Ni Ni48 1 0.89370800 0.55319600 0.08497600 1.0 Ni Ni49 1 0.44680400 0.10629200 0.91502400 1.0 Ni Ni50 1 0.94680400 0.60629200 0.58497600 1.0 Ni Ni51 1 0.39370800 0.05319600 0.41502400 1.0 Ni Ni52 1 0.33110200 0.48899900 0.80629400 1.0 Ni Ni53 1 0.51100100 0.66889800 0.19370600 1.0 Ni Ni54 1 0.01100100 0.16889800 0.30629400 1.0 Ni Ni55 1 0.83110200 0.98899900 0.69370600 1.0 Ni Ni56 1 0.66889800 0.51100100 0.19370600 1.0 Ni Ni57 1 0.48899900 0.33110200 0.80629400 1.0 Ni Ni58 1 0.98899900 0.83110200 0.69370600 1.0 Ni Ni59 1 0.16889800 0.01100100 0.30629400 1.0 Ni Ni60 1 0.83777900 0.36350700 0.52962300 1.0 Ni Ni61 1 0.63649300 0.16222100 0.47037700 1.0 Ni Ni62 1 0.13649300 0.66222100 0.02962300 1.0 Ni Ni63 1 0.33777900 0.86350700 0.97037700 1.0 Ni Ni64 1 0.16222100 0.63649300 0.47037700 1.0 Ni Ni65 1 0.36350700 0.83777900 0.52962300 1.0 Ni Ni66 1 0.86350700 0.33777900 0.97037700 1.0 Ni Ni67 1 0.66222100 0.13649300 0.02962300 1.0 B B68 1 0.36458500 0.63541500 0.50000000 1.0 B B69 1 0.86458500 0.13541500 0.00000000 1.0 B B70 1 0.63541500 0.36458500 0.50000000 1.0 B B71 1 0.13541500 0.86458500 0.00000000 1.0 B B72 1 0.45211600 0.45211600 0.67187300 1.0 B B73 1 0.54788400 0.54788400 0.32812700 1.0 B B74 1 0.04788400 0.04788400 0.17187300 1.0 B B75 1 0.95211600 0.95211600 0.82812700 1.0 B B76 1 0.05629200 0.05629200 0.69977500 1.0 B B77 1 0.94370800 0.94370800 0.30022500 1.0 B B78 1 0.44370800 0.44370800 0.19977500 1.0 B B79 1 0.55629200 0.55629200 0.80022500 1.0 B B80 1 0.11971400 0.37781700 0.74447500 1.0 B B81 1 0.62218300 0.88028600 0.25552500 1.0 B B82 1 0.12218300 0.38028600 0.24447500 1.0 B B83 1 0.61971400 0.87781700 0.75552500 1.0 B B84 1 0.88028600 0.62218300 0.25552500 1.0 B B85 1 0.37781700 0.11971400 0.74447500 1.0 B B86 1 0.87781700 0.61971400 0.75552500 1.0 B B87 1 0.38028600 0.12218300 0.24447500 1.0 B B88 1 0.29799800 0.59241900 0.95006900 1.0 B B89 1 0.40758100 0.70200200 0.04993100 1.0 B B90 1 0.90758100 0.20200200 0.45006900 1.0 B B91 1 0.79799800 0.09241900 0.54993100 1.0 B B92 1 0.70200200 0.40758100 0.04993100 1.0 B B93 1 0.59241900 0.29799800 0.95006900 1.0 B B94 1 0.09241900 0.79799800 0.54993100 1.0 B B95 1 0.20200200 0.90758100 0.45006900 1.0 B B96 1 0.04904600 0.44932500 0.59975000 1.0 B B97 1 0.55067500 0.95095400 0.40025000 1.0 B B98 1 0.05067500 0.45095400 0.09975000 1.0 B B99 1 0.54904600 0.94932500 0.90025000 1.0 B B100 1 0.95095400 0.55067500 0.40025000 1.0 B B101 1 0.44932500 0.04904600 0.59975000 1.0 B B102 1 0.94932500 0.54904600 0.90025000 1.0 B B103 1 0.45095400 0.05067500 0.09975000 1.0