# generated using pymatgen data_Ce3GeI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.93281390 _cell_length_b 10.93281368 _cell_length_c 10.93281328 _cell_angle_alpha 109.47121800 _cell_angle_beta 109.47121760 _cell_angle_gamma 109.47122139 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3GeI3 _chemical_formula_sum 'Ce12 Ge4 I12' _cell_volume 1005.94438049 _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 0.47100503 0.48550301 0.23550301 1.0 Ce Ce1 1 0.75000000 0.23550301 0.26449699 1.0 Ce Ce2 1 0.75000000 0.01449699 0.48550301 1.0 Ce Ce3 1 0.23550301 0.47100503 0.48550301 1.0 Ce Ce4 1 0.26449699 0.75000000 0.23550301 1.0 Ce Ce5 1 0.02899497 0.26449699 0.01449699 1.0 Ce Ce6 1 0.01449699 0.02899497 0.26449699 1.0 Ce Ce7 1 0.48550301 0.75000000 0.01449699 1.0 Ce Ce8 1 0.48550301 0.23550301 0.47100503 1.0 Ce Ce9 1 0.01449699 0.48550301 0.75000000 1.0 Ce Ce10 1 0.26449699 0.01449699 0.02899497 1.0 Ce Ce11 1 0.23550301 0.26449699 0.75000000 1.0 Ge Ge12 1 0.25000000 0.25000000 0.25000000 1.0 Ge Ge13 1 0.50000000 0.00000000 0.25000000 1.0 Ge Ge14 1 0.00000000 0.25000000 0.50000000 1.0 Ge Ge15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.75841965 0.74158035 1.0 I I17 1 0.51683931 0.50841965 0.75841965 1.0 I I18 1 0.98316069 0.74158035 0.99158035 1.0 I I19 1 0.74158035 0.25000000 0.75841965 1.0 I I20 1 0.99158035 0.98316069 0.74158035 1.0 I I21 1 0.25000000 0.99158035 0.50841965 1.0 I I22 1 0.75841965 0.51683931 0.50841965 1.0 I I23 1 0.50841965 0.25000000 0.99158035 1.0 I I24 1 0.75841965 0.74158035 0.25000000 1.0 I I25 1 0.74158035 0.99158035 0.98316069 1.0 I I26 1 0.99158035 0.50841965 0.25000000 1.0 I I27 1 0.50841965 0.75841965 0.51683931 1.0