# generated using pymatgen data_Ba(Co5As3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81229000 _cell_length_b 8.90452400 _cell_length_c 16.42082300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(Co5As3)2 _chemical_formula_sum 'Ba4 Co40 As24' _cell_volume 996.09040406 _cell_formula_units_Z 4 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 Ba Ba0 1 0.25000000 0.45859200 0.74951000 1.0 Ba Ba1 1 0.75000000 0.54140800 0.25049000 1.0 Ba Ba2 1 0.75000000 0.95859200 0.75049000 1.0 Ba Ba3 1 0.25000000 0.04140800 0.24951000 1.0 Co Co4 1 0.75000000 0.74202400 0.06554700 1.0 Co Co5 1 0.43776500 0.49990000 0.42801600 1.0 Co Co6 1 0.93776500 0.50010000 0.57198400 1.0 Co Co7 1 0.56223500 0.99990000 0.07198400 1.0 Co Co8 1 0.25000000 0.64671900 0.20496800 1.0 Co Co9 1 0.75000000 0.35328100 0.79503200 1.0 Co Co10 1 0.75000000 0.14671900 0.29503200 1.0 Co Co11 1 0.25000000 0.85328100 0.70496800 1.0 Co Co12 1 0.25000000 0.08342600 0.79854000 1.0 Co Co13 1 0.75000000 0.91657400 0.20146000 1.0 Co Co14 1 0.75000000 0.58342600 0.70146000 1.0 Co Co15 1 0.25000000 0.41657400 0.29854000 1.0 Co Co16 1 0.25000000 0.82137400 0.03600900 1.0 Co Co17 1 0.75000000 0.17862600 0.96399100 1.0 Co Co18 1 0.75000000 0.32137400 0.46399100 1.0 Co Co19 1 0.56223500 0.50010000 0.57198400 1.0 Co Co20 1 0.25000000 0.25797600 0.93445300 1.0 Co Co21 1 0.25000000 0.67862600 0.53600900 1.0 Co Co22 1 0.75000000 0.75797600 0.56554700 1.0 Co Co23 1 0.25000000 0.24202400 0.43445300 1.0 Co Co24 1 0.06071000 0.56950200 0.06881200 1.0 Co Co25 1 0.56071000 0.43049800 0.93118800 1.0 Co Co26 1 0.93929000 0.06950200 0.43118800 1.0 Co Co27 1 0.43929000 0.93049800 0.56881200 1.0 Co Co28 1 0.93929000 0.43049800 0.93118800 1.0 Co Co29 1 0.43929000 0.56950200 0.06881200 1.0 Co Co30 1 0.06071000 0.93049800 0.56881200 1.0 Co Co31 1 0.56071000 0.06950200 0.43118800 1.0 Co Co32 1 0.00015400 0.28317200 0.07108500 1.0 Co Co33 1 0.50015400 0.71682800 0.92891500 1.0 Co Co34 1 0.99984600 0.78317200 0.42891500 1.0 Co Co35 1 0.49984600 0.21682800 0.57108500 1.0 Co Co36 1 0.99984600 0.71682800 0.92891500 1.0 Co Co37 1 0.49984600 0.28317200 0.07108500 1.0 Co Co38 1 0.00015400 0.21682800 0.57108500 1.0 Co Co39 1 0.50015400 0.78317200 0.42891500 1.0 Co Co40 1 0.93776500 0.99990000 0.07198400 1.0 Co Co41 1 0.43776500 0.00010000 0.92801600 1.0 Co Co42 1 0.06223500 0.49990000 0.42801600 1.0 Co Co43 1 0.06223500 0.00010000 0.92801600 1.0 As As44 1 0.48654900 0.71170200 0.64774500 1.0 As As45 1 0.98654900 0.21170200 0.85225500 1.0 As As46 1 0.48654900 0.78829800 0.14774500 1.0 As As47 1 0.01345100 0.71170200 0.64774500 1.0 As As48 1 0.25000000 0.09427600 0.04273900 1.0 As As49 1 0.75000000 0.90572400 0.95726100 1.0 As As50 1 0.75000000 0.59427600 0.45726100 1.0 As As51 1 0.25000000 0.40572400 0.54273900 1.0 As As52 1 0.25000000 0.52723500 0.95425100 1.0 As As53 1 0.75000000 0.47276500 0.04574900 1.0 As As54 1 0.75000000 0.02723500 0.54574900 1.0 As As55 1 0.25000000 0.97276500 0.45425100 1.0 As As56 1 0.25000000 0.82894000 0.84567300 1.0 As As57 1 0.75000000 0.17106000 0.15432700 1.0 As As58 1 0.51345100 0.28829800 0.35225500 1.0 As As59 1 0.25000000 0.67106000 0.34567300 1.0 As As60 1 0.25000000 0.39843100 0.15632200 1.0 As As61 1 0.75000000 0.60156900 0.84367800 1.0 As As62 1 0.75000000 0.89843100 0.34367800 1.0 As As63 1 0.25000000 0.10156900 0.65632200 1.0 As As64 1 0.01345100 0.78829800 0.14774500 1.0 As As65 1 0.51345100 0.21170200 0.85225500 1.0 As As66 1 0.98654900 0.28829800 0.35225500 1.0 As As67 1 0.75000000 0.32894000 0.65432700 1.0