# generated using pymatgen data_Tm3Co29(Si2B5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11455700 _cell_length_b 11.11455700 _cell_length_c 7.81163600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Co29(Si2B5)2 _chemical_formula_sum 'Tm6 Co58 Si8 B20' _cell_volume 964.99777737 _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 Tm Tm0 1 0.25000000 0.75000000 0.00000000 1.0 Tm Tm1 1 0.25000000 0.25000000 0.00000000 1.0 Tm Tm2 1 0.75000000 0.75000000 0.00000000 1.0 Tm Tm3 1 0.75000000 0.25000000 0.00000000 1.0 Tm Tm4 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm5 1 0.50000000 0.50000000 0.50000000 1.0 Co Co6 1 0.33858400 0.67421800 0.33560400 1.0 Co Co7 1 0.27161600 0.00000000 0.52663600 1.0 Co Co8 1 0.50000000 0.77161600 0.52663600 1.0 Co Co9 1 0.50000000 0.22838400 0.52663600 1.0 Co Co10 1 0.83514200 0.50000000 0.97006900 1.0 Co Co11 1 0.00000000 0.66485800 0.97006900 1.0 Co Co12 1 0.00000000 0.33514200 0.97006900 1.0 Co Co13 1 0.16485800 0.50000000 0.97006900 1.0 Co Co14 1 0.66485800 0.00000000 0.02993100 1.0 Co Co15 1 0.33514200 0.00000000 0.02993100 1.0 Co Co16 1 0.50000000 0.83514200 0.02993100 1.0 Co Co17 1 0.50000000 0.16485800 0.02993100 1.0 Co Co18 1 0.88378300 0.38378300 0.24803300 1.0 Co Co19 1 0.88378300 0.61621700 0.24803300 1.0 Co Co20 1 0.11621700 0.38378300 0.24803300 1.0 Co Co21 1 0.11621700 0.61621700 0.24803300 1.0 Co Co22 1 0.61621700 0.88378300 0.75196700 1.0 Co Co23 1 0.38378300 0.11621700 0.75196700 1.0 Co Co24 1 0.38378300 0.88378300 0.75196700 1.0 Co Co25 1 0.61621700 0.11621700 0.75196700 1.0 Co Co26 1 0.88987000 0.38987000 0.69843600 1.0 Co Co27 1 0.88987000 0.61013000 0.69843600 1.0 Co Co28 1 0.11013000 0.38987000 0.69843600 1.0 Co Co29 1 0.11013000 0.61013000 0.69843600 1.0 Co Co30 1 0.61013000 0.88987000 0.30156400 1.0 Co Co31 1 0.38987000 0.11013000 0.30156400 1.0 Co Co32 1 0.38987000 0.88987000 0.30156400 1.0 Co Co33 1 0.61013000 0.11013000 0.30156400 1.0 Co Co34 1 0.33858400 0.32578200 0.33560400 1.0 Co Co35 1 0.82578200 0.16141600 0.33560400 1.0 Co Co36 1 0.17421800 0.83858400 0.33560400 1.0 Co Co37 1 0.66141600 0.67421800 0.33560400 1.0 Co Co38 1 0.16141600 0.82578200 0.66439600 1.0 Co Co39 1 0.83858400 0.17421800 0.66439600 1.0 Co Co40 1 0.32578200 0.33858400 0.66439600 1.0 Co Co41 1 0.61020000 0.50000000 0.88867300 1.0 Co Co42 1 0.16141600 0.17421800 0.66439600 1.0 Co Co43 1 0.67421800 0.33858400 0.66439600 1.0 Co Co44 1 0.32578200 0.66141600 0.66439600 1.0 Co Co45 1 0.83858400 0.82578200 0.66439600 1.0 Co Co46 1 0.72838400 0.00000000 0.52663600 1.0 Co Co47 1 0.00000000 0.88980000 0.88867300 1.0 Co Co48 1 0.17421800 0.16141600 0.33560400 1.0 Co Co49 1 0.82578200 0.83858400 0.33560400 1.0 Co Co50 1 0.00000000 0.11020000 0.88867300 1.0 Co Co51 1 0.38980000 0.50000000 0.88867300 1.0 Co Co52 1 0.50000000 0.00000000 0.53444400 1.0 Co Co53 1 0.00000000 0.50000000 0.46555600 1.0 Co Co54 1 0.11020000 0.00000000 0.11132700 1.0 Co Co55 1 0.22838400 0.50000000 0.47336400 1.0 Co Co56 1 0.00000000 0.27161600 0.47336400 1.0 Co Co57 1 0.00000000 0.72838400 0.47336400 1.0 Co Co58 1 0.77161600 0.50000000 0.47336400 1.0 Co Co59 1 0.50000000 0.61020000 0.11132700 1.0 Co Co60 1 0.50000000 0.38980000 0.11132700 1.0 Co Co61 1 0.88980000 0.00000000 0.11132700 1.0 Co Co62 1 0.67421800 0.66141600 0.66439600 1.0 Co Co63 1 0.66141600 0.32578200 0.33560400 1.0 Si Si64 1 0.50000000 0.68212400 0.82510600 1.0 Si Si65 1 0.31787600 0.50000000 0.17489400 1.0 Si Si66 1 0.00000000 0.18212400 0.17489400 1.0 Si Si67 1 0.00000000 0.81787600 0.17489400 1.0 Si Si68 1 0.68212400 0.50000000 0.17489400 1.0 Si Si69 1 0.18212400 0.00000000 0.82510600 1.0 Si Si70 1 0.81787600 0.00000000 0.82510600 1.0 Si Si71 1 0.50000000 0.31787600 0.82510600 1.0 B B72 1 0.68636100 0.18636100 0.51819200 1.0 B B73 1 0.31363900 0.81363900 0.51819200 1.0 B B74 1 0.31363900 0.18636100 0.51819200 1.0 B B75 1 0.68636100 0.81363900 0.51819200 1.0 B B76 1 0.18636100 0.68636100 0.48180800 1.0 B B77 1 0.18636100 0.31363900 0.48180800 1.0 B B78 1 0.50000000 0.25626800 0.26410200 1.0 B B79 1 0.50000000 0.74373200 0.26410200 1.0 B B80 1 0.24373200 0.00000000 0.26410200 1.0 B B81 1 0.75626800 0.00000000 0.26410200 1.0 B B82 1 0.25626800 0.50000000 0.73589800 1.0 B B83 1 0.00000000 0.24373200 0.73589800 1.0 B B84 1 0.00000000 0.75626800 0.73589800 1.0 B B85 1 0.74373200 0.50000000 0.73589800 1.0 B B86 1 0.50000000 0.00000000 0.14946000 1.0 B B87 1 0.00000000 0.50000000 0.85054000 1.0 B B88 1 0.50000000 0.00000000 0.89265300 1.0 B B89 1 0.00000000 0.50000000 0.10734700 1.0 B B90 1 0.81363900 0.68636100 0.48180800 1.0 B B91 1 0.81363900 0.31363900 0.48180800 1.0