# generated using pymatgen data_Lu6Al43W4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03319015 _cell_length_b 11.03319015 _cell_length_c 17.51281400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000091 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Al43W4 _chemical_formula_sum 'Lu12 Al86 W8' _cell_volume 1846.24260617 _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 0.46837100 0.46837100 0.90457600 1.0 Lu Lu1 1 0.53162900 0.00000000 0.90457600 1.0 Lu Lu2 1 0.00000000 0.53162900 0.90457600 1.0 Lu Lu3 1 0.53162900 0.53162900 0.09542400 1.0 Lu Lu4 1 0.46837100 0.00000000 0.09542400 1.0 Lu Lu5 1 0.00000000 0.46837100 0.09542400 1.0 Lu Lu6 1 0.53162900 0.53162900 0.40457600 1.0 Lu Lu7 1 0.46837100 0.00000000 0.40457600 1.0 Lu Lu8 1 0.00000000 0.46837100 0.40457600 1.0 Lu Lu9 1 0.46837100 0.46837100 0.59542400 1.0 Lu Lu10 1 0.53162900 0.00000000 0.59542400 1.0 Lu Lu11 1 0.00000000 0.53162900 0.59542400 1.0 Al Al12 1 0.84195900 0.23700300 0.83682400 1.0 Al Al13 1 0.76299700 0.60495600 0.83682400 1.0 Al Al14 1 0.39504400 0.15804100 0.83682400 1.0 Al Al15 1 0.23700300 0.84195900 0.83682400 1.0 Al Al16 1 0.60495600 0.76299700 0.83682400 1.0 Al Al17 1 0.15804100 0.39504400 0.83682400 1.0 Al Al18 1 0.15804100 0.76299700 0.16317600 1.0 Al Al19 1 0.23700300 0.39504400 0.16317600 1.0 Al Al20 1 0.60495600 0.84195900 0.16317600 1.0 Al Al21 1 0.76299700 0.15804100 0.16317600 1.0 Al Al22 1 0.39504400 0.23700300 0.16317600 1.0 Al Al23 1 0.84195900 0.60495600 0.16317600 1.0 Al Al24 1 0.15804100 0.76299700 0.33682400 1.0 Al Al25 1 0.23700300 0.39504400 0.33682400 1.0 Al Al26 1 0.60495600 0.84195900 0.33682400 1.0 Al Al27 1 0.76299700 0.15804100 0.33682400 1.0 Al Al28 1 0.39504400 0.23700300 0.33682400 1.0 Al Al29 1 0.84195900 0.60495600 0.33682400 1.0 Al Al30 1 0.84195900 0.23700300 0.66317600 1.0 Al Al31 1 0.76299700 0.60495600 0.66317600 1.0 Al Al32 1 0.39504400 0.15804100 0.66317600 1.0 Al Al33 1 0.23700300 0.84195900 0.66317600 1.0 Al Al34 1 0.60495600 0.76299700 0.66317600 1.0 Al Al35 1 0.15804100 0.39504400 0.66317600 1.0 Al Al36 1 0.84002500 0.84002500 0.38566700 1.0 Al Al37 1 0.15997500 0.00000000 0.38566700 1.0 Al Al38 1 0.00000000 0.15997500 0.38566700 1.0 Al Al39 1 0.15997500 0.15997500 0.61433300 1.0 Al Al40 1 0.84002500 0.00000000 0.61433300 1.0 Al Al41 1 0.00000000 0.84002500 0.61433300 1.0 Al Al42 1 0.15997500 0.15997500 0.88566700 1.0 Al Al43 1 0.84002500 0.00000000 0.88566700 1.0 Al Al44 1 0.00000000 0.84002500 0.88566700 1.0 Al Al45 1 0.84002500 0.84002500 0.11433300 1.0 Al Al46 1 0.15997500 0.00000000 0.11433300 1.0 Al Al47 1 0.00000000 0.15997500 0.11433300 1.0 Al Al48 1 0.74479100 0.74479100 0.96962100 1.0 Al Al49 1 0.25520900 0.00000000 0.96962100 1.0 Al Al50 1 0.00000000 0.25520900 0.96962100 1.0 Al Al51 1 0.25520900 0.25520900 0.03037900 1.0 Al Al52 1 0.74479100 0.00000000 0.03037900 1.0 Al Al53 1 0.00000000 0.74479100 0.03037900 1.0 Al Al54 1 0.25520900 0.25520900 0.46962100 1.0 Al Al55 1 0.74479100 0.00000000 0.46962100 1.0 Al Al56 1 0.00000000 0.74479100 0.46962100 1.0 Al Al57 1 0.74479100 0.74479100 0.53037900 1.0 Al Al58 1 0.25520900 0.00000000 0.53037900 1.0 Al Al59 1 0.00000000 0.25520900 0.53037900 1.0 Al Al60 1 0.85307300 0.44857100 0.75000000 1.0 Al Al61 1 0.55142900 0.40450200 0.75000000 1.0 Al Al62 1 0.59549800 0.14692700 0.75000000 1.0 Al Al63 1 0.44857100 0.85307300 0.75000000 1.0 Al Al64 1 0.40450200 0.55142900 0.75000000 1.0 Al Al65 1 0.14692700 0.59549800 0.75000000 1.0 Al Al66 1 0.14692700 0.55142900 0.25000000 1.0 Al Al67 1 0.44857100 0.59549800 0.25000000 1.0 Al Al68 1 0.40450200 0.85307300 0.25000000 1.0 Al Al69 1 0.55142900 0.14692700 0.25000000 1.0 Al Al70 1 0.59549800 0.44857100 0.25000000 1.0 Al Al71 1 0.85307300 0.40450200 0.25000000 1.0 Al Al72 1 0.75319000 0.24681000 0.00000000 1.0 Al Al73 1 0.75319000 0.50638000 0.00000000 1.0 Al Al74 1 0.49362000 0.24681000 0.00000000 1.0 Al Al75 1 0.24681000 0.75319000 0.00000000 1.0 Al Al76 1 0.50638000 0.75319000 0.00000000 1.0 Al Al77 1 0.24681000 0.49362000 0.00000000 1.0 Al Al78 1 0.24681000 0.75319000 0.50000000 1.0 Al Al79 1 0.24681000 0.49362000 0.50000000 1.0 Al Al80 1 0.50638000 0.75319000 0.50000000 1.0 Al Al81 1 0.75319000 0.24681000 0.50000000 1.0 Al Al82 1 0.49362000 0.24681000 0.50000000 1.0 Al Al83 1 0.75319000 0.50638000 0.50000000 1.0 Al Al84 1 0.66666700 0.33333300 0.87410500 1.0 Al Al85 1 0.33333300 0.66666700 0.87410500 1.0 Al Al86 1 0.33333300 0.66666700 0.12589500 1.0 Al Al87 1 0.66666700 0.33333300 0.12589500 1.0 Al Al88 1 0.33333300 0.66666700 0.37410500 1.0 Al Al89 1 0.66666700 0.33333300 0.37410500 1.0 Al Al90 1 0.66666700 0.33333300 0.62589500 1.0 Al Al91 1 0.33333300 0.66666700 0.62589500 1.0 Al Al92 1 0.85207700 0.85207700 0.75000000 1.0 Al Al93 1 0.14792300 0.00000000 0.75000000 1.0 Al Al94 1 0.00000000 0.14792300 0.75000000 1.0 Al Al95 1 0.14792300 0.14792300 0.25000000 1.0 Al Al96 1 0.85207700 0.00000000 0.25000000 1.0 Al Al97 1 0.00000000 0.85207700 0.25000000 1.0 W W98 1 0.27149000 0.27149000 0.75000000 1.0 W W99 1 0.72851000 0.00000000 0.75000000 1.0 W W100 1 0.00000000 0.72851000 0.75000000 1.0 W W101 1 0.72851000 0.72851000 0.25000000 1.0 W W102 1 0.27149000 0.00000000 0.25000000 1.0 W W103 1 0.00000000 0.27149000 0.25000000 1.0 W W104 1 0.00000000 0.00000000 0.00000000 1.0 W W105 1 0.00000000 0.00000000 0.50000000 1.0