# generated using pymatgen data_Ce12C6I17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.74281048 _cell_length_b 11.74281048 _cell_length_c 19.27021447 _cell_angle_alpha 89.79755058 _cell_angle_beta 89.79755058 _cell_angle_gamma 64.65347953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce12C6I17 _chemical_formula_sum 'Ce24 C12 I34' _cell_volume 2401.41978195 _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 Ce Ce0 1 0.07288900 0.01979600 0.15465100 1.0 Ce Ce1 1 0.57367100 0.09826700 0.88447800 1.0 Ce Ce2 1 0.70182400 0.28574000 0.97802100 1.0 Ce Ce3 1 0.09826700 0.57367100 0.38447800 1.0 Ce Ce4 1 0.01979600 0.07288900 0.65465100 1.0 Ce Ce5 1 0.35733700 0.35687300 0.04911700 1.0 Ce Ce6 1 0.92711100 0.98020400 0.84534900 1.0 Ce Ce7 1 0.64312700 0.64266300 0.45088300 1.0 Ce Ce8 1 0.54538500 0.53601800 0.12687300 1.0 Ce Ce9 1 0.45461500 0.46398200 0.87312700 1.0 Ce Ce10 1 0.35687300 0.35733700 0.54911700 1.0 Ce Ce11 1 0.28574000 0.70182400 0.47802100 1.0 Ce Ce12 1 0.90173300 0.42632900 0.61552200 1.0 Ce Ce13 1 0.53601800 0.54538500 0.62687300 1.0 Ce Ce14 1 0.71426000 0.29817600 0.52197900 1.0 Ce Ce15 1 0.80603700 0.33827500 0.78759600 1.0 Ce Ce16 1 0.42632900 0.90173300 0.11552200 1.0 Ce Ce17 1 0.98020400 0.92711100 0.34534900 1.0 Ce Ce18 1 0.64266300 0.64312700 0.95088300 1.0 Ce Ce19 1 0.46398200 0.45461500 0.37312700 1.0 Ce Ce20 1 0.66172500 0.19396300 0.71240400 1.0 Ce Ce21 1 0.19396300 0.66172500 0.21240400 1.0 Ce Ce22 1 0.33827500 0.80603700 0.28759600 1.0 Ce Ce23 1 0.29817600 0.71426000 0.02197900 1.0 C C24 1 0.27807400 0.63303600 0.34894300 1.0 C C25 1 0.53365100 0.53345300 0.98845300 1.0 C C26 1 0.16500300 0.74473400 0.34646200 1.0 C C27 1 0.25526600 0.83499700 0.15353800 1.0 C C28 1 0.53345300 0.53365100 0.48845300 1.0 C C29 1 0.46654700 0.46634900 0.51154700 1.0 C C30 1 0.63303600 0.27807400 0.84894300 1.0 C C31 1 0.36696400 0.72192600 0.15105700 1.0 C C32 1 0.83499700 0.25526600 0.65353800 1.0 C C33 1 0.72192600 0.36696400 0.65105700 1.0 C C34 1 0.46634900 0.46654700 0.01154700 1.0 C C35 1 0.74473400 0.16500300 0.84646200 1.0 I I36 1 0.39573300 0.90042500 0.44236600 1.0 I I37 1 0.79326200 0.81369000 0.89929200 1.0 I I38 1 0.91051900 0.39870200 0.44824000 1.0 I I39 1 0.39870200 0.91051900 0.94824000 1.0 I I40 1 0.28426300 0.80608600 0.63996300 1.0 I I41 1 0.11516200 0.09885700 0.30476100 1.0 I I42 1 0.60426700 0.09957500 0.55763400 1.0 I I43 1 0.30890800 0.28636600 0.39698700 1.0 I I44 1 0.88483800 0.90114300 0.69523900 1.0 I I45 1 0.97160000 0.50132800 0.75641800 1.0 I I46 1 0.42366300 0.37257800 0.20891000 1.0 I I47 1 0.18631000 0.20673800 0.60070800 1.0 I I48 1 0.80608600 0.28426300 0.13996300 1.0 I I49 1 0.71363400 0.69109200 0.10301300 1.0 I I50 1 0.08948100 0.60129800 0.55176000 1.0 I I51 1 0.02840000 0.49867200 0.24358200 1.0 I I52 1 0.69109200 0.71363400 0.60301300 1.0 I I53 1 0.71573700 0.19391400 0.36003700 1.0 I I54 1 0.28636600 0.30890800 0.89698700 1.0 I I55 1 0.62742200 0.57633700 0.29109000 1.0 I I56 1 0.09885700 0.11516200 0.80476100 1.0 I I57 1 0.20673800 0.18631000 0.10070800 1.0 I I58 1 0.60129800 0.08948100 0.05176000 1.0 I I59 1 0.49867200 0.02840000 0.74358200 1.0 I I60 1 0.81369000 0.79326200 0.39929200 1.0 I I61 1 0.09957500 0.60426700 0.05763400 1.0 I I62 1 0.50132800 0.97160000 0.25641800 1.0 I I63 1 0.57633700 0.62742200 0.79109000 1.0 I I64 1 0.37257800 0.42366300 0.70891000 1.0 I I65 1 0.90042500 0.39573300 0.94236600 1.0 I I66 1 0.90114300 0.88483800 0.19523900 1.0 I I67 1 0.19391400 0.71573700 0.86003700 1.0 I I68 1 0.00000000 0.00000000 0.00000000 1.0 I I69 1 0.00000000 0.00000000 0.50000000 1.0