# generated using pymatgen data_Sm(Ni2B)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03446578 _cell_length_b 6.03446578 _cell_length_c 11.02448900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.76836171 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(Ni2B)6 _chemical_formula_sum 'Sm2 Ni24 B12' _cell_volume 388.19198558 _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 Sm Sm0 1 0.83351500 0.83351500 0.49772300 1.0 Sm Sm1 1 0.16648500 0.16648500 0.99772300 1.0 Ni Ni2 1 0.56608200 0.56608200 0.91805700 1.0 Ni Ni3 1 0.43391800 0.43391800 0.41805700 1.0 Ni Ni4 1 0.78193800 0.78193800 0.09929200 1.0 Ni Ni5 1 0.21806200 0.21806200 0.59929200 1.0 Ni Ni6 1 0.54330600 0.80520500 0.73412100 1.0 Ni Ni7 1 0.80520500 0.54330600 0.73412100 1.0 Ni Ni8 1 0.45669400 0.19479500 0.23412100 1.0 Ni Ni9 1 0.19479500 0.45669400 0.23412100 1.0 Ni Ni10 1 0.14484200 0.88143100 0.75547600 1.0 Ni Ni11 1 0.88143100 0.14484200 0.75547600 1.0 Ni Ni12 1 0.85515800 0.11856900 0.25547600 1.0 Ni Ni13 1 0.11856900 0.85515800 0.25547600 1.0 Ni Ni14 1 0.65921400 0.27240800 0.56765300 1.0 Ni Ni15 1 0.27240800 0.65921400 0.56765300 1.0 Ni Ni16 1 0.34078600 0.72759200 0.06765300 1.0 Ni Ni17 1 0.72759200 0.34078600 0.06765300 1.0 Ni Ni18 1 0.63040600 0.99603600 0.93668000 1.0 Ni Ni19 1 0.99603600 0.63040600 0.93668000 1.0 Ni Ni20 1 0.36959400 0.00396400 0.43668000 1.0 Ni Ni21 1 0.00396400 0.36959400 0.43668000 1.0 Ni Ni22 1 0.47362100 0.21210900 0.77547400 1.0 Ni Ni23 1 0.21210900 0.47362100 0.77547400 1.0 Ni Ni24 1 0.52637900 0.78789100 0.27547400 1.0 Ni Ni25 1 0.78789100 0.52637900 0.27547400 1.0 B B26 1 0.83611100 0.83611100 0.83713400 1.0 B B27 1 0.16388900 0.16388900 0.33713400 1.0 B B28 1 0.48671100 0.48671100 0.65652100 1.0 B B29 1 0.51328900 0.51328900 0.15652100 1.0 B B30 1 0.32555800 0.75562500 0.88559500 1.0 B B31 1 0.75562500 0.32555800 0.88559500 1.0 B B32 1 0.67444200 0.24437500 0.38559500 1.0 B B33 1 0.24437500 0.67444200 0.38559500 1.0 B B34 1 0.40153100 0.98753700 0.62213800 1.0 B B35 1 0.98753700 0.40153100 0.62213800 1.0 B B36 1 0.59846900 0.01246300 0.12213800 1.0 B B37 1 0.01246300 0.59846900 0.12213800 1.0