# generated using pymatgen data_Ce(ClO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22713200 _cell_length_b 8.67726326 _cell_length_c 13.52276780 _cell_angle_alpha 89.85921463 _cell_angle_beta 89.90147308 _cell_angle_gamma 89.98599508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce(ClO)3 _chemical_formula_sum 'Ce4 Cl12 O12' _cell_volume 730.69219888 _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 0.43269100 0.24995400 0.46792200 1.0 Ce Ce1 1 0.06756000 0.24988200 0.96810300 1.0 Ce Ce2 1 0.56780700 0.75004600 0.53205700 1.0 Ce Ce3 1 0.93184500 0.75006300 0.03199700 1.0 Cl Cl4 1 0.68323300 0.25027900 0.31581200 1.0 Cl Cl5 1 0.81669800 0.25014000 0.81635500 1.0 Cl Cl6 1 0.31651000 0.74972500 0.68425500 1.0 Cl Cl7 1 0.18329100 0.74988100 0.18360100 1.0 Cl Cl8 1 0.32252100 0.55557600 0.41122000 1.0 Cl Cl9 1 0.17752100 0.94494700 0.91055000 1.0 Cl Cl10 1 0.67775800 0.05528200 0.58893300 1.0 Cl Cl11 1 0.82218200 0.44472600 0.08901100 1.0 Cl Cl12 1 0.67755500 0.44434200 0.58890100 1.0 Cl Cl13 1 0.82228100 0.05476800 0.08913500 1.0 Cl Cl14 1 0.32245000 0.94470400 0.41097900 1.0 Cl Cl15 1 0.17785700 0.55514200 0.91113300 1.0 O O16 1 0.14219100 0.24894000 0.49237900 1.0 O O17 1 0.35830400 0.24818400 0.99218600 1.0 O O18 1 0.85736900 0.75054700 0.50769800 1.0 O O19 1 0.64214800 0.75057500 0.00775200 1.0 O O20 1 0.27155900 0.17971700 0.68986000 1.0 O O21 1 0.22584600 0.32161600 0.19199500 1.0 O O22 1 0.72791700 0.67926600 0.30932300 1.0 O O23 1 0.77209900 0.82042400 0.80971600 1.0 O O24 1 0.72821600 0.82062000 0.30993900 1.0 O O25 1 0.77245900 0.67913000 0.80870700 1.0 O O26 1 0.27282900 0.32105900 0.69090500 1.0 O O27 1 0.22930200 0.18046700 0.18957600 1.0