# generated using pymatgen data_Nd6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11834823 _cell_length_b 11.11837657 _cell_length_c 17.97079889 _cell_angle_alpha 90.00001261 _cell_angle_beta 89.99997070 _cell_angle_gamma 120.00014576 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Ta4Al43 _chemical_formula_sum 'Nd12 Ta8 Al86' _cell_volume 1923.88464678 _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 Nd Nd0 1 0.53017516 0.00000104 0.59587071 1.0 Nd Nd1 1 0.46982409 0.00000141 0.40415302 1.0 Nd Nd2 1 -0.00000062 0.53017716 0.59587187 1.0 Nd Nd3 1 0.46983433 0.00000071 0.09584448 1.0 Nd Nd4 1 -0.00000152 0.53017074 0.90413328 1.0 Nd Nd5 1 0.00000166 0.46982949 0.40415442 1.0 Nd Nd6 1 0.53018024 0.00000089 0.90413171 1.0 Nd Nd7 1 0.00000055 0.46982799 0.09584138 1.0 Nd Nd8 1 0.46982144 0.46982019 0.59587094 1.0 Nd Nd9 1 0.53017082 0.53017033 0.40415384 1.0 Nd Nd10 1 0.53017141 0.53017392 0.09584306 1.0 Nd Nd11 1 0.46982754 0.46983011 0.90413321 1.0 Ta Ta12 1 -0.00004738 -0.00004859 0.50000140 1.0 Ta Ta13 1 0.00004106 -0.00002594 -0.00000158 1.0 Ta Ta14 1 0.72781486 0.00000017 0.75000294 1.0 Ta Ta15 1 0.27218231 0.00000046 0.25000291 1.0 Ta Ta16 1 0.00000124 0.72781560 0.74999903 1.0 Ta Ta17 1 0.00000096 0.27218439 0.24999717 1.0 Ta Ta18 1 0.27218434 0.27218195 0.74999989 1.0 Ta Ta19 1 0.72781826 0.72782006 0.24999917 1.0 Al Al20 1 0.15383222 0.59843874 0.75000322 1.0 Al Al21 1 0.84617401 0.40156498 0.24999750 1.0 Al Al22 1 0.40156017 0.55539155 0.75000168 1.0 Al Al23 1 0.59844149 0.15383303 0.75000016 1.0 Al Al24 1 0.59843921 0.44461429 0.24999772 1.0 Al Al25 1 0.40155521 0.84617036 0.24999828 1.0 Al Al26 1 0.44460985 0.84616603 0.75000178 1.0 Al Al27 1 0.55539006 0.40155854 0.75000238 1.0 Al Al28 1 0.55538247 0.15382361 0.24999892 1.0 Al Al29 1 0.44461126 0.59843999 0.24999886 1.0 Al Al30 1 0.84615899 0.44460245 0.75000271 1.0 Al Al31 1 0.15382779 0.55539015 0.24999782 1.0 Al Al32 1 0.15773403 0.00000184 0.11579399 1.0 Al Al33 1 0.84226593 0.00000253 0.88419020 1.0 Al Al34 1 0.00000133 0.15773026 0.11579684 1.0 Al Al35 1 0.84227193 0.00000003 0.61581240 1.0 Al Al36 1 0.00000071 0.15773133 0.38420026 1.0 Al Al37 1 -0.00000146 0.84226826 0.88418931 1.0 Al Al38 1 0.15772665 0.00000263 0.38419932 1.0 Al Al39 1 0.00000287 0.84227103 0.61581240 1.0 Al Al40 1 0.84227259 0.84227474 0.11579840 1.0 Al Al41 1 0.15773075 0.15772782 0.88419055 1.0 Al Al42 1 0.15773552 0.15773564 0.61581464 1.0 Al Al43 1 0.84227499 0.84227725 0.38420344 1.0 Al Al44 1 0.24744121 0.49487058 0.50001012 1.0 Al Al45 1 0.75256608 0.50512737 0.50001143 1.0 Al Al46 1 0.50512868 0.75257184 0.50001009 1.0 Al Al47 1 0.75256307 0.50512418 -0.00000782 1.0 Al Al48 1 0.49486732 0.24743544 -0.00001209 1.0 Al Al49 1 0.49487395 0.24744029 0.50001149 1.0 Al Al50 1 0.24744427 0.49487604 -0.00001028 1.0 Al Al51 1 0.50513727 0.75257671 -0.00001043 1.0 Al Al52 1 0.24743666 0.75256928 0.50000976 1.0 Al Al53 1 0.75255779 0.24742845 0.50001026 1.0 Al Al54 1 0.75255751 0.24742956 -0.00001120 1.0 Al Al55 1 0.24743811 0.75257266 -0.00001024 1.0 Al Al56 1 0.14702871 -0.00000249 0.75000029 1.0 Al Al57 1 0.85297014 0.00000316 0.24999877 1.0 Al Al58 1 -0.00000226 0.14702618 0.75000211 1.0 Al Al59 1 0.00000044 0.85297311 0.24999824 1.0 Al Al60 1 0.85297088 0.85297178 0.75000115 1.0 Al Al61 1 0.14702830 0.14702936 0.24999816 1.0 Al Al62 1 0.33333125 0.66666397 0.62559692 1.0 Al Al63 1 0.66666632 0.33333369 0.37441355 1.0 Al Al64 1 0.66666453 0.33333193 0.12558329 1.0 Al Al65 1 0.66666505 0.33333110 0.87440615 1.0 Al Al66 1 0.33333585 0.66666609 0.87440464 1.0 Al Al67 1 0.33333535 0.66666821 0.12558206 1.0 Al Al68 1 0.33333173 0.66666676 0.37441610 1.0 Al Al69 1 0.66666642 0.33333541 0.62559538 1.0 Al Al70 1 0.25194151 0.00000379 0.52992911 1.0 Al Al71 1 0.74806708 0.00000147 0.47008174 1.0 Al Al72 1 0.00000099 0.25194037 0.52992907 1.0 Al Al73 1 0.74805647 0.00000196 0.02991524 1.0 Al Al74 1 0.00000109 0.25194319 0.97007021 1.0 Al Al75 1 -0.00000014 0.74806381 0.47008608 1.0 Al Al76 1 0.25193702 -0.00000012 0.97007001 1.0 Al Al77 1 -0.00000291 0.74806446 0.02991807 1.0 Al Al78 1 0.74806540 0.74806470 0.52992938 1.0 Al Al79 1 0.25193708 0.25193818 0.47008157 1.0 Al Al80 1 0.25193282 0.25193542 0.02991814 1.0 Al Al81 1 0.74806543 0.74806258 0.97007124 1.0 Al Al82 1 0.15789428 0.39353951 0.66436420 1.0 Al Al83 1 0.84210484 0.60645678 0.33564696 1.0 Al Al84 1 0.60645825 0.76435691 0.66435959 1.0 Al Al85 1 0.84209788 0.60645211 0.16435053 1.0 Al Al86 1 0.39354783 0.15789911 0.83564278 1.0 Al Al87 1 0.39354278 0.23565014 0.33564694 1.0 Al Al88 1 0.15789596 0.39353922 0.83564211 1.0 Al Al89 1 0.60645251 0.84210204 0.16434995 1.0 Al Al90 1 0.23564802 0.84210108 0.66436070 1.0 Al Al91 1 0.39354862 0.23565129 0.16435136 1.0 Al Al92 1 0.76435226 0.60645196 0.83564241 1.0 Al Al93 1 0.76435076 0.15790078 0.33564614 1.0 Al Al94 1 0.60646179 0.76435658 0.83563954 1.0 Al Al95 1 0.23564980 0.39354874 0.16434932 1.0 Al Al96 1 0.60645319 0.84210664 0.33564764 1.0 Al Al97 1 0.39354536 0.15789919 0.66435926 1.0 Al Al98 1 0.76435011 0.15790003 0.16434890 1.0 Al Al99 1 0.23564962 0.39354727 0.33564637 1.0 Al Al100 1 0.23564773 0.84209945 0.83564195 1.0 Al Al101 1 0.76435394 0.60645753 0.66436274 1.0 Al Al102 1 0.84209948 0.23564331 0.83564296 1.0 Al Al103 1 0.15789811 0.76435057 0.16435108 1.0 Al Al104 1 0.15789372 0.76435120 0.33564598 1.0 Al Al105 1 0.84210136 0.23564496 0.66436221 1.0