# generated using pymatgen data_Ce3CoBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36318459 _cell_length_b 10.36318427 _cell_length_c 10.36318481 _cell_angle_alpha 109.47122169 _cell_angle_beta 109.47122108 _cell_angle_gamma 109.47121792 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3CoBr3 _chemical_formula_sum 'Ce12 Co4 Br12' _cell_volume 856.75729939 _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 Ce Ce0 1 0.46153379 0.48076690 0.23076690 1.0 Ce Ce1 1 0.75000000 0.23076690 0.26923310 1.0 Ce Ce2 1 0.75000000 0.01923310 0.48076690 1.0 Ce Ce3 1 0.23076690 0.46153379 0.48076690 1.0 Ce Ce4 1 0.26923310 0.75000000 0.23076690 1.0 Ce Ce5 1 0.03846621 0.26923310 0.01923310 1.0 Ce Ce6 1 0.01923310 0.03846621 0.26923310 1.0 Ce Ce7 1 0.48076690 0.75000000 0.01923310 1.0 Ce Ce8 1 0.48076690 0.23076690 0.46153379 1.0 Ce Ce9 1 0.01923310 0.48076690 0.75000000 1.0 Ce Ce10 1 0.26923310 0.01923310 0.03846621 1.0 Ce Ce11 1 0.23076690 0.26923310 0.75000000 1.0 Co Co12 1 0.25000000 0.25000000 0.25000000 1.0 Co Co13 1 0.50000000 0.00000000 0.25000000 1.0 Co Co14 1 0.00000000 0.25000000 0.50000000 1.0 Co Co15 1 0.25000000 0.50000000 0.00000000 1.0 Br Br16 1 0.25000000 0.75526773 0.74473227 1.0 Br Br17 1 0.51053546 0.50526773 0.75526773 1.0 Br Br18 1 0.98946454 0.74473227 0.99473227 1.0 Br Br19 1 0.74473227 0.25000000 0.75526773 1.0 Br Br20 1 0.99473227 0.98946454 0.74473227 1.0 Br Br21 1 0.25000000 0.99473227 0.50526773 1.0 Br Br22 1 0.75526773 0.51053546 0.50526773 1.0 Br Br23 1 0.50526773 0.25000000 0.99473227 1.0 Br Br24 1 0.75526773 0.74473227 0.25000000 1.0 Br Br25 1 0.74473227 0.99473227 0.98946454 1.0 Br Br26 1 0.99473227 0.50526773 0.25000000 1.0 Br Br27 1 0.50526773 0.75526773 0.51053546 1.0