# generated using pymatgen data_Ba5Co5ClO13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78479215 _cell_length_b 5.78479215 _cell_length_c 24.78391200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000171 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Co5ClO13 _chemical_formula_sum 'Ba10 Co10 Cl2 O26' _cell_volume 718.25060563 _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 Ba Ba0 1 0.33333300 0.66666700 0.53996800 1.0 Ba Ba1 1 0.66666700 0.33333300 0.03996800 1.0 Ba Ba2 1 0.66666700 0.33333300 0.46003200 1.0 Ba Ba3 1 0.33333300 0.66666700 0.96003200 1.0 Ba Ba4 1 0.33333300 0.66666700 0.12679700 1.0 Ba Ba5 1 0.66666700 0.33333300 0.62679700 1.0 Ba Ba6 1 0.66666700 0.33333300 0.87320300 1.0 Ba Ba7 1 0.33333300 0.66666700 0.37320300 1.0 Ba Ba8 1 0.00000000 0.00000000 0.75000000 1.0 Ba Ba9 1 0.00000000 0.00000000 0.25000000 1.0 Co Co10 1 0.66666700 0.33333300 0.17667400 1.0 Co Co11 1 0.00000000 0.00000000 0.00000000 1.0 Co Co12 1 0.33333300 0.66666700 0.67667400 1.0 Co Co13 1 0.00000000 0.00000000 0.50000000 1.0 Co Co14 1 0.66666700 0.33333300 0.32332600 1.0 Co Co15 1 0.33333300 0.66666700 0.82332600 1.0 Co Co16 1 0.00000000 0.00000000 0.89667900 1.0 Co Co17 1 0.00000000 0.00000000 0.39667900 1.0 Co Co18 1 0.00000000 0.00000000 0.10332100 1.0 Co Co19 1 0.00000000 0.00000000 0.60332100 1.0 Cl Cl20 1 0.66666700 0.33333300 0.75000000 1.0 Cl Cl21 1 0.33333300 0.66666700 0.25000000 1.0 O O22 1 0.66666700 0.33333300 0.25000000 1.0 O O23 1 0.33333300 0.66666700 0.75000000 1.0 O O24 1 0.14850000 0.29699900 0.04770600 1.0 O O25 1 0.70300100 0.85150000 0.04770600 1.0 O O26 1 0.14850000 0.85150000 0.04770600 1.0 O O27 1 0.85150000 0.14850000 0.54770600 1.0 O O28 1 0.85150000 0.14850000 0.95229400 1.0 O O29 1 0.85150000 0.70300100 0.54770600 1.0 O O30 1 0.29699900 0.14850000 0.54770600 1.0 O O31 1 0.70300100 0.85150000 0.45229400 1.0 O O32 1 0.14850000 0.29699900 0.45229400 1.0 O O33 1 0.85150000 0.70300100 0.95229400 1.0 O O34 1 0.29699900 0.14850000 0.95229400 1.0 O O35 1 0.14850000 0.85150000 0.45229400 1.0 O O36 1 0.83756100 0.67512300 0.14778100 1.0 O O37 1 0.32487700 0.16243900 0.14778100 1.0 O O38 1 0.83756100 0.16243900 0.14778100 1.0 O O39 1 0.16243900 0.83756100 0.64778100 1.0 O O40 1 0.16243900 0.83756100 0.85221900 1.0 O O41 1 0.16243900 0.32487700 0.64778100 1.0 O O42 1 0.67512300 0.83756100 0.64778100 1.0 O O43 1 0.32487700 0.16243900 0.35221900 1.0 O O44 1 0.83756100 0.16243900 0.35221900 1.0 O O45 1 0.67512300 0.83756100 0.85221900 1.0 O O46 1 0.83756100 0.67512300 0.35221900 1.0 O O47 1 0.16243900 0.32487700 0.85221900 1.0