# generated using pymatgen data_Lu6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97634776 _cell_length_b 10.97634806 _cell_length_c 17.61430691 _cell_angle_alpha 90.00002272 _cell_angle_beta 89.99998865 _cell_angle_gamma 119.99999904 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Ta4Al43 _chemical_formula_sum 'Lu12 Ta8 Al86' _cell_volume 1837.85787423 _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 0.53177302 0.00000024 0.59662714 1.0 Lu Lu1 1 0.46822173 0.00000029 0.40335363 1.0 Lu Lu2 1 0.00000000 0.53177266 0.59662704 1.0 Lu Lu3 1 0.46822229 0.00000016 0.09664567 1.0 Lu Lu4 1 0.00000000 0.53177316 0.90337394 1.0 Lu Lu5 1 1.00000000 0.46822147 0.40335372 1.0 Lu Lu6 1 0.53177257 0.99999993 0.90337360 1.0 Lu Lu7 1 1.00000000 0.46822083 0.09664611 1.0 Lu Lu8 1 0.46822698 0.46822722 0.59662714 1.0 Lu Lu9 1 0.53177827 0.53177856 0.40335363 1.0 Lu Lu10 1 0.53177771 0.53177788 0.09664567 1.0 Lu Lu11 1 0.46822743 0.46822735 0.90337360 1.0 Ta Ta12 1 0.00000000 0.99999996 0.49999869 1.0 Ta Ta13 1 0.00000000 0.99999994 0.00000120 1.0 Ta Ta14 1 0.72555838 0.99999988 0.75000245 1.0 Ta Ta15 1 0.27445616 0.00000009 0.24999779 1.0 Ta Ta16 1 1.00000000 0.72555796 0.75000231 1.0 Ta Ta17 1 0.00000000 0.27445648 0.24999796 1.0 Ta Ta18 1 0.27444162 0.27444150 0.75000245 1.0 Ta Ta19 1 0.72554384 0.72554394 0.24999779 1.0 Al Al20 1 0.15240701 0.59593439 0.74999787 1.0 Al Al21 1 0.84759113 0.40406696 0.25000201 1.0 Al Al22 1 0.40406516 0.55647229 0.74999794 1.0 Al Al23 1 0.59593484 0.15240713 0.74999794 1.0 Al Al24 1 0.59593311 0.44352425 0.25000201 1.0 Al Al25 1 0.40406689 0.84759113 0.25000201 1.0 Al Al26 1 0.44352768 0.84759261 0.74999793 1.0 Al Al27 1 0.55647232 0.40406493 0.74999793 1.0 Al Al28 1 0.55647600 0.15240904 0.25000202 1.0 Al Al29 1 0.44352400 0.59593304 0.25000202 1.0 Al Al30 1 0.84759299 0.44352738 0.74999787 1.0 Al Al31 1 0.15240887 0.55647584 0.25000201 1.0 Al Al32 1 0.16000856 0.00000023 0.11499845 1.0 Al Al33 1 0.83998969 0.99999996 0.88501274 1.0 Al Al34 1 1.00000000 0.16000899 0.11499878 1.0 Al Al35 1 0.83998979 0.00000007 0.61498466 1.0 Al Al36 1 1.00000000 0.16000875 0.38500412 1.0 Al Al37 1 0.00000000 0.83999006 0.88501282 1.0 Al Al38 1 0.16000851 0.00000000 0.38500414 1.0 Al Al39 1 0.00000000 0.83998977 0.61498478 1.0 Al Al40 1 0.83999144 0.83999167 0.11499845 1.0 Al Al41 1 0.16001031 0.16001026 0.88501274 1.0 Al Al42 1 0.16001021 0.16001028 0.61498466 1.0 Al Al43 1 0.83999149 0.83999149 0.38500414 1.0 Al Al44 1 0.24738644 0.49477339 0.49998083 1.0 Al Al45 1 0.75261238 0.50522656 0.49998088 1.0 Al Al46 1 0.50522631 0.75261216 0.49998073 1.0 Al Al47 1 0.75261148 0.50522508 0.00001910 1.0 Al Al48 1 0.49477486 0.24738735 0.00001914 1.0 Al Al49 1 0.49477369 0.24738685 0.49998073 1.0 Al Al50 1 0.24738735 0.49477470 0.00001912 1.0 Al Al51 1 0.50522514 0.75261150 0.00001914 1.0 Al Al52 1 0.24738762 0.75261318 0.49998088 1.0 Al Al53 1 0.75261356 0.24738795 0.49998083 1.0 Al Al54 1 0.75261265 0.24738835 0.00001912 1.0 Al Al55 1 0.24738852 0.75261260 0.00001910 1.0 Al Al56 1 0.14943230 0.99999986 0.74999784 1.0 Al Al57 1 0.85056973 0.00000020 0.25000211 1.0 Al Al58 1 -0.00000000 0.14943210 0.74999767 1.0 Al Al59 1 0.00000000 0.85056971 0.25000206 1.0 Al Al60 1 0.85056770 0.85056756 0.74999784 1.0 Al Al61 1 0.14943027 0.14943047 0.25000211 1.0 Al Al62 1 0.33333306 0.66666696 0.62457652 1.0 Al Al63 1 0.66666687 0.33333295 0.37541214 1.0 Al Al64 1 0.66666678 0.33333290 0.12458994 1.0 Al Al65 1 0.66666673 0.33333283 0.87542124 1.0 Al Al66 1 0.33333327 0.66666710 0.87542124 1.0 Al Al67 1 0.33333322 0.66666712 0.12458994 1.0 Al Al68 1 0.33333313 0.66666708 0.37541214 1.0 Al Al69 1 0.66666694 0.33333290 0.62457652 1.0 Al Al70 1 0.25650380 0.99999989 0.52984166 1.0 Al Al71 1 0.74350556 0.00000019 0.47013954 1.0 Al Al72 1 0.00000000 0.25650416 0.52984163 1.0 Al Al73 1 0.74350571 0.00000015 0.02986105 1.0 Al Al74 1 0.00000000 0.25650381 0.97015790 1.0 Al Al75 1 1.00000000 0.74350547 0.47013945 1.0 Al Al76 1 0.25650375 0.99999995 0.97015772 1.0 Al Al77 1 1.00000000 0.74350566 0.02986083 1.0 Al Al78 1 0.74349620 0.74349609 0.52984166 1.0 Al Al79 1 0.25649444 0.25649463 0.47013954 1.0 Al Al80 1 0.25649429 0.25649445 0.02986105 1.0 Al Al81 1 0.74349625 0.74349620 0.97015772 1.0 Al Al82 1 0.15831449 0.39578624 0.66168243 1.0 Al Al83 1 0.84168846 0.60421752 0.33831592 1.0 Al Al84 1 0.60421363 0.76252833 0.66168250 1.0 Al Al85 1 0.84168510 0.60421617 0.16168649 1.0 Al Al86 1 0.39578751 0.15831790 0.83831486 1.0 Al Al87 1 0.39578278 0.23747109 0.33831612 1.0 Al Al88 1 0.15831801 0.39578766 0.83831499 1.0 Al Al89 1 0.60421598 0.84168486 0.16168628 1.0 Al Al90 1 0.23747153 0.84168508 0.66168259 1.0 Al Al91 1 0.39578402 0.23746888 0.16168628 1.0 Al Al92 1 0.76253028 0.60421239 0.83831505 1.0 Al Al93 1 0.76252897 0.15831169 0.33831609 1.0 Al Al94 1 0.60421249 0.76253039 0.83831486 1.0 Al Al95 1 0.23746875 0.39578377 0.16168652 1.0 Al Al96 1 0.60421722 0.84168831 0.33831612 1.0 Al Al97 1 0.39578637 0.15831470 0.66168250 1.0 Al Al98 1 0.76253125 0.15831502 0.16168652 1.0 Al Al99 1 0.23747103 0.39578271 0.33831609 1.0 Al Al100 1 0.23746972 0.84168210 0.83831505 1.0 Al Al101 1 0.76252847 0.60421356 0.66168259 1.0 Al Al102 1 0.84168199 0.23746965 0.83831499 1.0 Al Al103 1 0.15831490 0.76253107 0.16168649 1.0 Al Al104 1 0.15831154 0.76252906 0.33831592 1.0 Al Al105 1 0.84168551 0.23747175 0.66168243 1.0