# generated using pymatgen data_Ba6Co25S27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98623300 _cell_length_b 9.98623300 _cell_length_c 9.98623300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Co25S27 _chemical_formula_sum 'Ba6 Co25 S27' _cell_volume 995.87558330 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.19431200 1.0 Ba Ba1 1 0.50000000 0.80568800 0.50000000 1.0 Ba Ba2 1 0.50000000 0.19431200 0.50000000 1.0 Ba Ba3 1 0.19431200 0.50000000 0.50000000 1.0 Ba Ba4 1 0.80568800 0.50000000 0.50000000 1.0 Ba Ba5 1 0.50000000 0.50000000 0.80568800 1.0 Co Co6 1 0.12904900 0.36953000 0.12904900 1.0 Co Co7 1 0.12904900 0.87095100 0.36953000 1.0 Co Co8 1 0.12904900 0.12904900 0.63047000 1.0 Co Co9 1 0.12904900 0.36953000 0.87095100 1.0 Co Co10 1 0.87095100 0.36953000 0.12904900 1.0 Co Co11 1 0.63047000 0.12904900 0.12904900 1.0 Co Co12 1 0.36953000 0.87095100 0.12904900 1.0 Co Co13 1 0.12904900 0.12904900 0.36953000 1.0 Co Co14 1 0.36953000 0.12904900 0.12904900 1.0 Co Co15 1 0.63047000 0.87095100 0.12904900 1.0 Co Co16 1 0.12904900 0.87095100 0.63047000 1.0 Co Co17 1 0.63047000 0.12904900 0.87095100 1.0 Co Co18 1 0.87095100 0.87095100 0.36953000 1.0 Co Co19 1 0.87095100 0.12904900 0.63047000 1.0 Co Co20 1 0.36953000 0.87095100 0.87095100 1.0 Co Co21 1 0.12904900 0.63047000 0.87095100 1.0 Co Co22 1 0.87095100 0.36953000 0.87095100 1.0 Co Co23 1 0.87095100 0.63047000 0.12904900 1.0 Co Co24 1 0.36953000 0.12904900 0.87095100 1.0 Co Co25 1 0.63047000 0.87095100 0.87095100 1.0 Co Co26 1 0.12904900 0.63047000 0.12904900 1.0 Co Co27 1 0.87095100 0.63047000 0.87095100 1.0 Co Co28 1 0.87095100 0.12904900 0.36953000 1.0 Co Co29 1 0.87095100 0.87095100 0.63047000 1.0 Co Co30 1 0.00000000 0.00000000 0.00000000 1.0 S S31 1 0.50000000 0.50000000 0.50000000 1.0 S S32 1 0.00000000 0.23903100 0.00000000 1.0 S S33 1 0.00000000 0.00000000 0.23903100 1.0 S S34 1 0.00000000 0.00000000 0.76096900 1.0 S S35 1 0.76096900 0.00000000 0.00000000 1.0 S S36 1 0.23903100 0.00000000 0.00000000 1.0 S S37 1 0.00000000 0.76096900 0.00000000 1.0 S S38 1 0.26117600 0.26117600 0.26117600 1.0 S S39 1 0.26117600 0.73882400 0.26117600 1.0 S S40 1 0.26117600 0.26117600 0.73882400 1.0 S S41 1 0.73882400 0.26117600 0.26117600 1.0 S S42 1 0.73882400 0.73882400 0.26117600 1.0 S S43 1 0.26117600 0.73882400 0.73882400 1.0 S S44 1 0.73882400 0.26117600 0.73882400 1.0 S S45 1 0.73882400 0.73882400 0.73882400 1.0 S S46 1 0.00000000 0.50000000 0.24443700 1.0 S S47 1 0.00000000 0.75556300 0.50000000 1.0 S S48 1 0.00000000 0.24443700 0.50000000 1.0 S S49 1 0.24443700 0.50000000 0.00000000 1.0 S S50 1 0.75556300 0.50000000 0.00000000 1.0 S S51 1 0.50000000 0.00000000 0.24443700 1.0 S S52 1 0.24443700 0.00000000 0.50000000 1.0 S S53 1 0.50000000 0.24443700 0.00000000 1.0 S S54 1 0.50000000 0.75556300 0.00000000 1.0 S S55 1 0.75556300 0.00000000 0.50000000 1.0 S S56 1 0.00000000 0.50000000 0.75556300 1.0 S S57 1 0.50000000 0.00000000 0.75556300 1.0