# generated using pymatgen data_Lu3Co29(Si2B5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.08495800 _cell_length_b 11.08495800 _cell_length_c 7.79002800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Co29(Si2B5)2 _chemical_formula_sum 'Lu6 Co58 Si8 B20' _cell_volume 957.20976972 _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 0.25000000 0.75000000 0.00000000 1.0 Lu Lu1 1 0.25000000 0.25000000 0.00000000 1.0 Lu Lu2 1 0.75000000 0.75000000 0.00000000 1.0 Lu Lu3 1 0.75000000 0.25000000 0.00000000 1.0 Lu Lu4 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu5 1 0.50000000 0.50000000 0.50000000 1.0 Co Co6 1 0.33868400 0.67407500 0.33574100 1.0 Co Co7 1 0.27098900 0.00000000 0.52710100 1.0 Co Co8 1 0.50000000 0.77098900 0.52710100 1.0 Co Co9 1 0.50000000 0.22901100 0.52710100 1.0 Co Co10 1 0.83480100 0.50000000 0.96967400 1.0 Co Co11 1 0.00000000 0.66519900 0.96967400 1.0 Co Co12 1 0.00000000 0.33480100 0.96967400 1.0 Co Co13 1 0.16519900 0.50000000 0.96967400 1.0 Co Co14 1 0.66519900 0.00000000 0.03032600 1.0 Co Co15 1 0.33480100 0.00000000 0.03032600 1.0 Co Co16 1 0.50000000 0.83480100 0.03032600 1.0 Co Co17 1 0.50000000 0.16519900 0.03032600 1.0 Co Co18 1 0.88326400 0.38326400 0.24659500 1.0 Co Co19 1 0.88326400 0.61673600 0.24659500 1.0 Co Co20 1 0.11673600 0.38326400 0.24659500 1.0 Co Co21 1 0.11673600 0.61673600 0.24659500 1.0 Co Co22 1 0.61673600 0.88326400 0.75340500 1.0 Co Co23 1 0.38326400 0.11673600 0.75340500 1.0 Co Co24 1 0.38326400 0.88326400 0.75340500 1.0 Co Co25 1 0.61673600 0.11673600 0.75340500 1.0 Co Co26 1 0.88975100 0.38975100 0.69821000 1.0 Co Co27 1 0.88975100 0.61024900 0.69821000 1.0 Co Co28 1 0.11024900 0.38975100 0.69821000 1.0 Co Co29 1 0.11024900 0.61024900 0.69821000 1.0 Co Co30 1 0.61024900 0.88975100 0.30179000 1.0 Co Co31 1 0.38975100 0.11024900 0.30179000 1.0 Co Co32 1 0.38975100 0.88975100 0.30179000 1.0 Co Co33 1 0.61024900 0.11024900 0.30179000 1.0 Co Co34 1 0.33868400 0.32592500 0.33574100 1.0 Co Co35 1 0.82592500 0.16131600 0.33574100 1.0 Co Co36 1 0.17407500 0.83868400 0.33574100 1.0 Co Co37 1 0.66131600 0.67407500 0.33574100 1.0 Co Co38 1 0.16131600 0.82592500 0.66425900 1.0 Co Co39 1 0.83868400 0.17407500 0.66425900 1.0 Co Co40 1 0.32592500 0.33868400 0.66425900 1.0 Co Co41 1 0.61013400 0.50000000 0.88841700 1.0 Co Co42 1 0.16131600 0.17407500 0.66425900 1.0 Co Co43 1 0.67407500 0.33868400 0.66425900 1.0 Co Co44 1 0.32592500 0.66131600 0.66425900 1.0 Co Co45 1 0.83868400 0.82592500 0.66425900 1.0 Co Co46 1 0.72901100 0.00000000 0.52710100 1.0 Co Co47 1 0.00000000 0.88986600 0.88841700 1.0 Co Co48 1 0.17407500 0.16131600 0.33574100 1.0 Co Co49 1 0.82592500 0.83868400 0.33574100 1.0 Co Co50 1 0.00000000 0.11013400 0.88841700 1.0 Co Co51 1 0.38986600 0.50000000 0.88841700 1.0 Co Co52 1 0.50000000 0.00000000 0.53585200 1.0 Co Co53 1 0.00000000 0.50000000 0.46414800 1.0 Co Co54 1 0.11013400 0.00000000 0.11158300 1.0 Co Co55 1 0.22901100 0.50000000 0.47289900 1.0 Co Co56 1 0.00000000 0.27098900 0.47289900 1.0 Co Co57 1 0.00000000 0.72901100 0.47289900 1.0 Co Co58 1 0.77098900 0.50000000 0.47289900 1.0 Co Co59 1 0.50000000 0.61013400 0.11158300 1.0 Co Co60 1 0.50000000 0.38986600 0.11158300 1.0 Co Co61 1 0.88986600 0.00000000 0.11158300 1.0 Co Co62 1 0.67407500 0.66131600 0.66425900 1.0 Co Co63 1 0.66131600 0.32592500 0.33574100 1.0 Si Si64 1 0.50000000 0.68274300 0.82513900 1.0 Si Si65 1 0.31725700 0.50000000 0.17486100 1.0 Si Si66 1 0.00000000 0.18274300 0.17486100 1.0 Si Si67 1 0.00000000 0.81725700 0.17486100 1.0 Si Si68 1 0.68274300 0.50000000 0.17486100 1.0 Si Si69 1 0.18274300 0.00000000 0.82513900 1.0 Si Si70 1 0.81725700 0.00000000 0.82513900 1.0 Si Si71 1 0.50000000 0.31725700 0.82513900 1.0 B B72 1 0.68580600 0.18580600 0.51882000 1.0 B B73 1 0.31419400 0.81419400 0.51882000 1.0 B B74 1 0.31419400 0.18580600 0.51882000 1.0 B B75 1 0.68580600 0.81419400 0.51882000 1.0 B B76 1 0.18580600 0.68580600 0.48118000 1.0 B B77 1 0.18580600 0.31419400 0.48118000 1.0 B B78 1 0.50000000 0.25607600 0.26448300 1.0 B B79 1 0.50000000 0.74392400 0.26448300 1.0 B B80 1 0.24392400 0.00000000 0.26448300 1.0 B B81 1 0.75607600 0.00000000 0.26448300 1.0 B B82 1 0.25607600 0.50000000 0.73551700 1.0 B B83 1 0.00000000 0.24392400 0.73551700 1.0 B B84 1 0.00000000 0.75607600 0.73551700 1.0 B B85 1 0.74392400 0.50000000 0.73551700 1.0 B B86 1 0.50000000 0.00000000 0.14936000 1.0 B B87 1 0.00000000 0.50000000 0.85064000 1.0 B B88 1 0.50000000 0.00000000 0.89271200 1.0 B B89 1 0.00000000 0.50000000 0.10728800 1.0 B B90 1 0.81419400 0.68580600 0.48118000 1.0 B B91 1 0.81419400 0.31419400 0.48118000 1.0