# generated using pymatgen data_Ho6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01137701 _cell_length_b 11.01139506 _cell_length_c 17.72395239 _cell_angle_alpha 90.00000764 _cell_angle_beta 90.00000541 _cell_angle_gamma 119.99996595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho6Ta4Al43 _chemical_formula_sum 'Ho12 Ta8 Al86' _cell_volume 1861.12409591 _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 Ho Ho0 1 0.53123527 0.00000027 0.59639872 1.0 Ho Ho1 1 0.46875914 -0.00000088 0.40357153 1.0 Ho Ho2 1 0.00000090 0.53123516 0.59639883 1.0 Ho Ho3 1 0.46876117 0.00000091 0.09642827 1.0 Ho Ho4 1 0.00000048 0.53123290 0.90359947 1.0 Ho Ho5 1 -0.00000095 0.46875863 0.40357212 1.0 Ho Ho6 1 0.53123448 0.00000170 0.90359945 1.0 Ho Ho7 1 0.00000050 0.46876116 0.09642807 1.0 Ho Ho8 1 0.46876486 0.46876552 0.59639884 1.0 Ho Ho9 1 0.53124147 0.53124077 0.40357272 1.0 Ho Ho10 1 0.53123914 0.53123852 0.09642776 1.0 Ho Ho11 1 0.46876652 0.46876701 0.90359896 1.0 Ta Ta12 1 -0.00000024 -0.00000040 0.49999036 1.0 Ta Ta13 1 0.00000006 -0.00000001 0.00001136 1.0 Ta Ta14 1 0.72614634 0.00000417 0.74999696 1.0 Ta Ta15 1 0.27385736 -0.00000009 0.25000302 1.0 Ta Ta16 1 0.00000028 0.72614470 0.74999681 1.0 Ta Ta17 1 0.00000026 0.27385655 0.25000290 1.0 Ta Ta18 1 0.27385557 0.27385169 0.74999668 1.0 Ta Ta19 1 0.72614252 0.72614436 0.25000265 1.0 Al Al20 1 0.15292170 0.59677314 0.75000028 1.0 Al Al21 1 0.84706671 0.40321914 0.24999841 1.0 Al Al22 1 0.40322659 0.55614873 0.74999987 1.0 Al Al23 1 0.59677363 0.15292242 0.75000008 1.0 Al Al24 1 0.59678092 0.44384677 0.24999863 1.0 Al Al25 1 0.40321874 0.84706555 0.24999854 1.0 Al Al26 1 0.44385031 0.84707786 0.75000019 1.0 Al Al27 1 0.55614874 0.40322655 0.74999994 1.0 Al Al28 1 0.55615323 0.15293435 0.24999862 1.0 Al Al29 1 0.44384704 0.59678080 0.24999863 1.0 Al Al30 1 0.84707834 0.44385095 0.75000026 1.0 Al Al31 1 0.15293456 0.55615289 0.24999851 1.0 Al Al32 1 0.15929629 -0.00000016 0.11517245 1.0 Al Al33 1 0.84071595 -0.00000093 0.88483784 1.0 Al Al34 1 0.00000041 0.15929598 0.11517244 1.0 Al Al35 1 0.84071621 -0.00000094 0.61515972 1.0 Al Al36 1 0.00000043 0.15929301 0.38483265 1.0 Al Al37 1 -0.00000040 0.84071591 0.88483755 1.0 Al Al38 1 0.15929340 -0.00000001 0.38483263 1.0 Al Al39 1 -0.00000069 0.84071603 0.61515968 1.0 Al Al40 1 0.84070407 0.84070362 0.11517248 1.0 Al Al41 1 0.15928306 0.15928293 0.88483696 1.0 Al Al42 1 0.15928249 0.15928273 0.61516015 1.0 Al Al43 1 0.84070685 0.84070638 0.38483259 1.0 Al Al44 1 0.24740514 0.49482276 0.49999787 1.0 Al Al45 1 0.75258660 0.50517683 0.49999725 1.0 Al Al46 1 0.50517858 0.75258684 0.49999572 1.0 Al Al47 1 0.75258610 0.50517952 0.00000250 1.0 Al Al48 1 0.49482158 0.24740578 0.00000291 1.0 Al Al49 1 0.49482292 0.24740495 0.49999786 1.0 Al Al50 1 0.24740574 0.49482115 0.00000286 1.0 Al Al51 1 0.50517989 0.75258570 0.00000219 1.0 Al Al52 1 0.24741349 0.75259470 0.49999922 1.0 Al Al53 1 0.75259510 0.24741365 0.49999903 1.0 Al Al54 1 0.75259743 0.24741502 0.00000070 1.0 Al Al55 1 0.24741504 0.75259707 0.00000067 1.0 Al Al56 1 0.14826844 0.00000037 0.74999605 1.0 Al Al57 1 0.85171424 -0.00000008 0.25000191 1.0 Al Al58 1 -0.00000018 0.14828839 0.74999811 1.0 Al Al59 1 0.00000021 0.85171303 0.25000196 1.0 Al Al60 1 0.85171640 0.85171616 0.74999683 1.0 Al Al61 1 0.14828729 0.14828676 0.25000199 1.0 Al Al62 1 0.33333238 0.66666740 0.62466008 1.0 Al Al63 1 0.66666716 0.33333220 0.37534162 1.0 Al Al64 1 0.66666780 0.33333245 0.12465931 1.0 Al Al65 1 0.66666781 0.33333284 0.87533579 1.0 Al Al66 1 0.33333256 0.66666733 0.87533571 1.0 Al Al67 1 0.33333274 0.66666753 0.12465914 1.0 Al Al68 1 0.33333262 0.66666715 0.37534169 1.0 Al Al69 1 0.66666803 0.33333265 0.62465995 1.0 Al Al70 1 0.25543637 0.00000053 0.52955700 1.0 Al Al71 1 0.74455361 -0.00000298 0.47044338 1.0 Al Al72 1 0.00000087 0.25543635 0.52955694 1.0 Al Al73 1 0.74455332 -0.00000067 0.02955714 1.0 Al Al74 1 0.00000247 0.25543806 0.97044189 1.0 Al Al75 1 -0.00000272 0.74455346 0.47044333 1.0 Al Al76 1 0.25543844 0.00000231 0.97044176 1.0 Al Al77 1 -0.00000038 0.74455307 0.02955715 1.0 Al Al78 1 0.74456026 0.74456002 0.52955839 1.0 Al Al79 1 0.25544766 0.25544744 0.47044376 1.0 Al Al80 1 0.25544767 0.25544737 0.02955560 1.0 Al Al81 1 0.74456170 0.74456107 0.97044339 1.0 Al Al82 1 0.15817039 0.39508114 0.66245248 1.0 Al Al83 1 0.84182787 0.60490996 0.33754925 1.0 Al Al84 1 0.60491807 0.76308924 0.66245192 1.0 Al Al85 1 0.84183256 0.60491433 0.16245517 1.0 Al Al86 1 0.39508069 0.15817128 0.83754682 1.0 Al Al87 1 0.39508984 0.23691729 0.33754956 1.0 Al Al88 1 0.15817050 0.39508026 0.83754709 1.0 Al Al89 1 0.60491444 0.84183235 0.16245520 1.0 Al Al90 1 0.23691002 0.84182904 0.66245209 1.0 Al Al91 1 0.39508561 0.23691793 0.16245527 1.0 Al Al92 1 0.76309051 0.60491950 0.83754689 1.0 Al Al93 1 0.76308261 0.15817127 0.33754926 1.0 Al Al94 1 0.60491964 0.76308994 0.83754687 1.0 Al Al95 1 0.23691823 0.39508534 0.16245507 1.0 Al Al96 1 0.60491468 0.84183067 0.33754617 1.0 Al Al97 1 0.39508189 0.15817138 0.66245230 1.0 Al Al98 1 0.76308252 0.15816715 0.16245532 1.0 Al Al99 1 0.23691768 0.39508954 0.33754970 1.0 Al Al100 1 0.23690930 0.84182949 0.83754716 1.0 Al Al101 1 0.76308984 0.60491813 0.66245212 1.0 Al Al102 1 0.84182942 0.23690966 0.83754754 1.0 Al Al103 1 0.15816698 0.76308209 0.16245534 1.0 Al Al104 1 0.15817132 0.76308227 0.33754934 1.0 Al Al105 1 0.84182931 0.23691021 0.66245188 1.0