# generated using pymatgen data_Ho6Ti4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.96912071 _cell_length_b 10.96912078 _cell_length_c 17.74277224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000263 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho6Ti4Al43 _chemical_formula_sum 'Ho12 Ti8 Al86' _cell_volume 1848.82468952 _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 0.52993923 0.99999994 0.59653885 1.0 Ho Ho1 1 0.47006077 0.00000006 0.40346115 1.0 Ho Ho2 1 1.00000000 0.52994023 0.59653902 1.0 Ho Ho3 1 0.47006077 0.00000006 0.09653885 1.0 Ho Ho4 1 1.00000000 0.52994023 0.90346098 1.0 Ho Ho5 1 0.00000000 0.47005977 0.40346098 1.0 Ho Ho6 1 0.52993923 0.99999994 0.90346115 1.0 Ho Ho7 1 0.00000000 0.47005977 0.09653902 1.0 Ho Ho8 1 0.47006077 0.47006071 0.59653885 1.0 Ho Ho9 1 0.52993923 0.52993929 0.40346115 1.0 Ho Ho10 1 0.52993923 0.52993929 0.09653885 1.0 Ho Ho11 1 0.47006077 0.47006071 0.90346115 1.0 Ti Ti12 1 -0.00000000 -0.00000000 0.50000000 1.0 Ti Ti13 1 -0.00000000 -0.00000000 -0.00000000 1.0 Ti Ti14 1 0.72703961 0.99999996 0.75000000 1.0 Ti Ti15 1 0.27296039 0.00000004 0.25000000 1.0 Ti Ti16 1 1.00000000 0.72704021 0.75000000 1.0 Ti Ti17 1 0.00000000 0.27295979 0.25000000 1.0 Ti Ti18 1 0.27296039 0.27296035 0.75000000 1.0 Ti Ti19 1 0.72703961 0.72703965 0.25000000 1.0 Al Al20 1 0.15180408 0.59740892 0.75000000 1.0 Al Al21 1 0.84819592 0.40259108 0.25000000 1.0 Al Al22 1 0.40259130 0.55439543 0.75000000 1.0 Al Al23 1 0.59740870 0.15180413 0.75000000 1.0 Al Al24 1 0.59740870 0.44560457 0.25000000 1.0 Al Al25 1 0.40259130 0.84819587 0.25000000 1.0 Al Al26 1 0.44560453 0.84819581 0.75000000 1.0 Al Al27 1 0.55439547 0.40259128 0.75000000 1.0 Al Al28 1 0.55439547 0.15180419 0.25000000 1.0 Al Al29 1 0.44560453 0.59740872 0.25000000 1.0 Al Al30 1 0.84819592 0.44560484 0.75000000 1.0 Al Al31 1 0.15180408 0.55439516 0.25000000 1.0 Al Al32 1 0.15601086 0.00000011 0.11662950 1.0 Al Al33 1 0.84398914 0.99999989 0.88337050 1.0 Al Al34 1 1.00000000 0.15601078 0.11662959 1.0 Al Al35 1 0.84398914 0.99999989 0.61662950 1.0 Al Al36 1 1.00000000 0.15601078 0.38337041 1.0 Al Al37 1 0.00000000 0.84398922 0.88337041 1.0 Al Al38 1 0.15601086 0.00000011 0.38337050 1.0 Al Al39 1 0.00000000 0.84398922 0.61662959 1.0 Al Al40 1 0.84398914 0.84398925 0.11662950 1.0 Al Al41 1 0.15601086 0.15601075 0.88337050 1.0 Al Al42 1 0.15601086 0.15601075 0.61662950 1.0 Al Al43 1 0.84398914 0.84398925 0.38337050 1.0 Al Al44 1 0.24763577 0.49527229 0.50000001 1.0 Al Al45 1 0.75236423 0.50472771 0.49999999 1.0 Al Al46 1 0.50472772 0.75236436 0.50000000 1.0 Al Al47 1 0.75236423 0.50472771 0.00000001 1.0 Al Al48 1 0.49527228 0.24763564 -0.00000000 1.0 Al Al49 1 0.49527228 0.24763564 0.50000000 1.0 Al Al50 1 0.24763577 0.49527229 0.99999999 1.0 Al Al51 1 0.50472772 0.75236436 -0.00000000 1.0 Al Al52 1 0.24763577 0.75236448 0.49999999 1.0 Al Al53 1 0.75236423 0.24763552 0.50000001 1.0 Al Al54 1 0.75236423 0.24763552 0.99999999 1.0 Al Al55 1 0.24763577 0.75236448 0.00000001 1.0 Al Al56 1 0.14666023 0.99999988 0.75000000 1.0 Al Al57 1 0.85333877 0.00000012 0.25000000 1.0 Al Al58 1 1.00000000 0.14666019 0.75000000 1.0 Al Al59 1 0.00000000 0.85333881 0.25000000 1.0 Al Al60 1 0.85333877 0.85333865 0.75000000 1.0 Al Al61 1 0.14666023 0.14666035 0.25000000 1.0 Al Al62 1 0.33333316 0.66666717 0.62563404 1.0 Al Al63 1 0.66666684 0.33333283 0.37436596 1.0 Al Al64 1 0.66666684 0.33333283 0.12563404 1.0 Al Al65 1 0.66666684 0.33333301 0.87436596 1.0 Al Al66 1 0.33333316 0.66666717 0.87436596 1.0 Al Al67 1 0.33333316 0.66666699 0.12563404 1.0 Al Al68 1 0.33333316 0.66666699 0.37436596 1.0 Al Al69 1 0.66666684 0.33333301 0.62563404 1.0 Al Al70 1 0.25276092 0.00000010 0.52927333 1.0 Al Al71 1 0.74723908 0.99999990 0.47072667 1.0 Al Al72 1 1.00000000 0.25276079 0.52927328 1.0 Al Al73 1 0.74723908 0.99999990 0.02927333 1.0 Al Al74 1 1.00000000 0.25276079 0.97072672 1.0 Al Al75 1 0.00000000 0.74723921 0.47072672 1.0 Al Al76 1 0.25276092 0.00000010 0.97072667 1.0 Al Al77 1 0.00000000 0.74723921 0.02927328 1.0 Al Al78 1 0.74723908 0.74723917 0.52927333 1.0 Al Al79 1 0.25276092 0.25276083 0.47072667 1.0 Al Al80 1 0.25276092 0.25276083 0.02927333 1.0 Al Al81 1 0.74723908 0.74723917 0.97072667 1.0 Al Al82 1 0.15884340 0.39330941 0.66355399 1.0 Al Al83 1 0.84115660 0.60669059 0.33644601 1.0 Al Al84 1 0.60669045 0.76553398 0.66355398 1.0 Al Al85 1 0.84115660 0.60669059 0.16355399 1.0 Al Al86 1 0.39330955 0.15884353 0.83644602 1.0 Al Al87 1 0.39330955 0.23446602 0.33644602 1.0 Al Al88 1 0.15884340 0.39330941 0.83644601 1.0 Al Al89 1 0.60669045 0.84115647 0.16355398 1.0 Al Al90 1 0.23446587 0.84115655 0.66355408 1.0 Al Al91 1 0.39330955 0.23446602 0.16355398 1.0 Al Al92 1 0.76553413 0.60669068 0.83644592 1.0 Al Al93 1 0.76553413 0.15884345 0.33644592 1.0 Al Al94 1 0.60669045 0.76553398 0.83644602 1.0 Al Al95 1 0.23446587 0.39330932 0.16355408 1.0 Al Al96 1 0.60669045 0.84115647 0.33644602 1.0 Al Al97 1 0.39330955 0.15884353 0.66355398 1.0 Al Al98 1 0.76553413 0.15884345 0.16355408 1.0 Al Al99 1 0.23446587 0.39330932 0.33644592 1.0 Al Al100 1 0.23446587 0.84115655 0.83644592 1.0 Al Al101 1 0.76553413 0.60669068 0.66355408 1.0 Al Al102 1 0.84115660 0.23446601 0.83644601 1.0 Al Al103 1 0.15884340 0.76553399 0.16355399 1.0 Al Al104 1 0.15884340 0.76553399 0.33644601 1.0 Al Al105 1 0.84115660 0.23446601 0.66355399 1.0