# generated using pymatgen data_Lu6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11032415 _cell_length_b 11.11032415 _cell_length_c 17.60373300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Nb4Al43 _chemical_formula_sum 'Lu12 Nb8 Al86' _cell_volume 1881.86671318 _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 Lu Lu0 1 0.53062800 0.00000000 0.59613700 1.0 Lu Lu1 1 0.46937200 0.00000000 0.40386300 1.0 Lu Lu2 1 0.00000000 0.53062800 0.59613700 1.0 Lu Lu3 1 0.46937200 0.00000000 0.09613700 1.0 Lu Lu4 1 0.00000000 0.53062800 0.90386300 1.0 Lu Lu5 1 0.00000000 0.46937200 0.40386300 1.0 Lu Lu6 1 0.53062800 0.00000000 0.90386300 1.0 Lu Lu7 1 0.00000000 0.46937200 0.09613700 1.0 Lu Lu8 1 0.46937200 0.46937200 0.59613700 1.0 Lu Lu9 1 0.53062800 0.53062800 0.40386300 1.0 Lu Lu10 1 0.53062800 0.53062800 0.09613700 1.0 Lu Lu11 1 0.46937200 0.46937200 0.90386300 1.0 Nb Nb12 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb14 1 0.72507300 0.00000000 0.75000000 1.0 Nb Nb15 1 0.27492700 0.00000000 0.25000000 1.0 Nb Nb16 1 0.00000000 0.72507300 0.75000000 1.0 Nb Nb17 1 0.00000000 0.27492700 0.25000000 1.0 Nb Nb18 1 0.27492700 0.27492700 0.75000000 1.0 Nb Nb19 1 0.72507300 0.72507300 0.25000000 1.0 Al Al20 1 0.15008800 0.59547100 0.75000000 1.0 Al Al21 1 0.84991200 0.40452900 0.25000000 1.0 Al Al22 1 0.40452900 0.55461700 0.75000000 1.0 Al Al23 1 0.59547100 0.15008800 0.75000000 1.0 Al Al24 1 0.59547100 0.44538300 0.25000000 1.0 Al Al25 1 0.40452900 0.84991200 0.25000000 1.0 Al Al26 1 0.44538300 0.84991200 0.75000000 1.0 Al Al27 1 0.55461700 0.40452900 0.75000000 1.0 Al Al28 1 0.55461700 0.15008800 0.25000000 1.0 Al Al29 1 0.44538300 0.59547100 0.25000000 1.0 Al Al30 1 0.84991200 0.44538300 0.75000000 1.0 Al Al31 1 0.15008800 0.55461700 0.25000000 1.0 Al Al32 1 0.15931800 0.00000000 0.11514700 1.0 Al Al33 1 0.84068200 0.00000000 0.88485300 1.0 Al Al34 1 0.00000000 0.15931800 0.11514700 1.0 Al Al35 1 0.84068200 0.00000000 0.61514700 1.0 Al Al36 1 0.00000000 0.15931800 0.38485300 1.0 Al Al37 1 0.00000000 0.84068200 0.88485300 1.0 Al Al38 1 0.15931800 0.00000000 0.38485300 1.0 Al Al39 1 0.00000000 0.84068200 0.61514700 1.0 Al Al40 1 0.84068200 0.84068200 0.11514700 1.0 Al Al41 1 0.15931800 0.15931800 0.88485300 1.0 Al Al42 1 0.15931800 0.15931800 0.61514700 1.0 Al Al43 1 0.84068200 0.84068200 0.38485300 1.0 Al Al44 1 0.24713100 0.49426300 0.50000000 1.0 Al Al45 1 0.75286900 0.50573700 0.50000000 1.0 Al Al46 1 0.50573700 0.75286900 0.50000000 1.0 Al Al47 1 0.75286900 0.50573700 0.00000000 1.0 Al Al48 1 0.49426300 0.24713100 0.00000000 1.0 Al Al49 1 0.49426300 0.24713100 0.50000000 1.0 Al Al50 1 0.24713100 0.49426300 0.00000000 1.0 Al Al51 1 0.50573700 0.75286900 0.00000000 1.0 Al Al52 1 0.24713100 0.75286900 0.50000000 1.0 Al Al53 1 0.75286900 0.24713100 0.50000000 1.0 Al Al54 1 0.75286900 0.24713100 0.00000000 1.0 Al Al55 1 0.24713100 0.75286900 0.00000000 1.0 Al Al56 1 0.14735900 0.00000000 0.75000000 1.0 Al Al57 1 0.85264100 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14735900 0.75000000 1.0 Al Al59 1 0.00000000 0.85264100 0.25000000 1.0 Al Al60 1 0.85264100 0.85264100 0.75000000 1.0 Al Al61 1 0.14735900 0.14735900 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62616900 1.0 Al Al63 1 0.66666700 0.33333300 0.37383100 1.0 Al Al64 1 0.66666700 0.33333300 0.12616900 1.0 Al Al65 1 0.66666700 0.33333300 0.87383100 1.0 Al Al66 1 0.33333300 0.66666700 0.87383100 1.0 Al Al67 1 0.33333300 0.66666700 0.12616900 1.0 Al Al68 1 0.33333300 0.66666700 0.37383100 1.0 Al Al69 1 0.66666700 0.33333300 0.62616900 1.0 Al Al70 1 0.25741300 0.00000000 0.53041500 1.0 Al Al71 1 0.74258700 0.00000000 0.46958500 1.0 Al Al72 1 0.00000000 0.25741300 0.53041500 1.0 Al Al73 1 0.74258700 0.00000000 0.03041500 1.0 Al Al74 1 0.00000000 0.25741300 0.96958500 1.0 Al Al75 1 0.00000000 0.74258700 0.46958500 1.0 Al Al76 1 0.25741300 0.00000000 0.96958500 1.0 Al Al77 1 0.00000000 0.74258700 0.03041500 1.0 Al Al78 1 0.74258700 0.74258700 0.53041500 1.0 Al Al79 1 0.25741300 0.25741300 0.46958500 1.0 Al Al80 1 0.25741300 0.25741300 0.03041500 1.0 Al Al81 1 0.74258700 0.74258700 0.96958500 1.0 Al Al82 1 0.15659900 0.39494000 0.66305600 1.0 Al Al83 1 0.84340100 0.60506000 0.33694400 1.0 Al Al84 1 0.60506000 0.76165900 0.66305600 1.0 Al Al85 1 0.84340100 0.60506000 0.16305600 1.0 Al Al86 1 0.39494000 0.15659900 0.83694400 1.0 Al Al87 1 0.39494000 0.23834100 0.33694400 1.0 Al Al88 1 0.15659900 0.39494000 0.83694400 1.0 Al Al89 1 0.60506000 0.84340100 0.16305600 1.0 Al Al90 1 0.23834100 0.84340100 0.66305600 1.0 Al Al91 1 0.39494000 0.23834100 0.16305600 1.0 Al Al92 1 0.76165900 0.60506000 0.83694400 1.0 Al Al93 1 0.76165900 0.15659900 0.33694400 1.0 Al Al94 1 0.60506000 0.76165900 0.83694400 1.0 Al Al95 1 0.23834100 0.39494000 0.16305600 1.0 Al Al96 1 0.60506000 0.84340100 0.33694400 1.0 Al Al97 1 0.39494000 0.15659900 0.66305600 1.0 Al Al98 1 0.76165900 0.15659900 0.16305600 1.0 Al Al99 1 0.23834100 0.39494000 0.33694400 1.0 Al Al100 1 0.23834100 0.84340100 0.83694400 1.0 Al Al101 1 0.76165900 0.60506000 0.66305600 1.0 Al Al102 1 0.84340100 0.23834100 0.83694400 1.0 Al Al103 1 0.15659900 0.76165900 0.16305600 1.0 Al Al104 1 0.15659900 0.76165900 0.33694400 1.0 Al Al105 1 0.84340100 0.23834100 0.66305600 1.0