# generated using pymatgen data_Ce4Si2Se3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.31337148 _cell_length_b 11.31337126 _cell_length_c 11.31337143 _cell_angle_alpha 99.78134801 _cell_angle_beta 114.52282379 _cell_angle_gamma 114.52281860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4Si2Se3O7 _chemical_formula_sum 'Ce16 Si8 Se12 O28' _cell_volume 1091.37459933 _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 0.01122605 0.34590223 0.33467618 1.0 Ce Ce1 1 0.98877395 0.33467618 0.82345013 1.0 Ce Ce2 1 0.51122605 0.33467618 0.34590223 1.0 Ce Ce3 1 0.51122605 0.17654987 0.66532382 1.0 Ce Ce4 1 0.98877395 0.65409777 0.66532382 1.0 Ce Ce5 1 0.48877395 0.82345013 0.33467618 1.0 Ce Ce6 1 0.48877395 0.66532382 0.65409777 1.0 Ce Ce7 1 0.01122605 0.66532382 0.17654987 1.0 Ce Ce8 1 0.59499284 0.29749642 0.04749642 1.0 Ce Ce9 1 0.75000000 0.04749642 0.95250358 1.0 Ce Ce10 1 0.75000000 0.70250358 0.29749642 1.0 Ce Ce11 1 0.90500716 0.95250358 0.70250358 1.0 Ce Ce12 1 0.40500716 0.70250358 0.95250358 1.0 Ce Ce13 1 0.25000000 0.95250358 0.04749642 1.0 Ce Ce14 1 0.25000000 0.29749642 0.70250358 1.0 Ce Ce15 1 0.09499284 0.04749642 0.29749642 1.0 Si Si16 1 0.37361068 0.46687517 0.09326449 1.0 Si Si17 1 0.62638932 0.09326449 0.21965381 1.0 Si Si18 1 0.87361068 0.09326449 0.46687517 1.0 Si Si19 1 0.87361068 0.78034619 0.90673551 1.0 Si Si20 1 0.62638932 0.53312483 0.90673551 1.0 Si Si21 1 0.12638932 0.21965381 0.09326449 1.0 Si Si22 1 0.12638932 0.90673551 0.53312483 1.0 Si Si23 1 0.37361068 0.90673551 0.78034619 1.0 Se Se24 1 0.35335459 0.00000000 0.35335459 1.0 Se Se25 1 0.35335459 0.35335459 0.50000000 1.0 Se Se26 1 0.14664541 0.64664541 0.00000000 1.0 Se Se27 1 0.14664541 0.50000000 0.64664541 1.0 Se Se28 1 0.64664541 0.00000000 0.64664541 1.0 Se Se29 1 0.64664541 0.64664541 0.50000000 1.0 Se Se30 1 0.85335459 0.35335459 0.00000000 1.0 Se Se31 1 0.85335459 0.50000000 0.35335459 1.0 Se Se32 1 0.25000000 0.62500000 0.37500000 1.0 Se Se33 1 0.75000000 0.37500000 0.62500000 1.0 Se Se34 1 0.75000000 0.87500000 0.12500000 1.0 Se Se35 1 0.25000000 0.12500000 0.87500000 1.0 O O36 1 0.22729152 0.15020331 0.15791745 1.0 O O37 1 0.00771414 0.15791745 0.43062594 1.0 O O38 1 0.49228586 0.92291180 0.15020331 1.0 O O39 1 0.49228586 0.56937406 0.84208255 1.0 O O40 1 0.00771414 0.84979669 0.07708820 1.0 O O41 1 0.27270848 0.43062594 0.92291180 1.0 O O42 1 0.27270848 0.84208255 0.84979669 1.0 O O43 1 0.22729152 0.07708820 0.56937406 1.0 O O44 1 0.77270848 0.84979669 0.84208255 1.0 O O45 1 0.99228586 0.84208255 0.56937406 1.0 O O46 1 0.50771414 0.07708820 0.84979669 1.0 O O47 1 0.50771414 0.43062594 0.15791745 1.0 O O48 1 0.99228586 0.15020331 0.92291180 1.0 O O49 1 0.72729152 0.56937406 0.07708820 1.0 O O50 1 0.72729152 0.15791745 0.15020331 1.0 O O51 1 0.77270848 0.92291180 0.43062594 1.0 O O52 1 0.02535685 0.19501301 0.16965616 1.0 O O53 1 0.97464315 0.16965616 0.64429932 1.0 O O54 1 0.52535685 0.16965616 0.19501301 1.0 O O55 1 0.52535685 0.35570068 0.83034384 1.0 O O56 1 0.97464315 0.80498699 0.83034384 1.0 O O57 1 0.47464315 0.64429932 0.16965616 1.0 O O58 1 0.47464315 0.83034384 0.80498699 1.0 O O59 1 0.02535685 0.83034384 0.35570068 1.0 O O60 1 0.25000000 0.86039297 0.61039297 1.0 O O61 1 0.75000000 0.61039297 0.86039297 1.0 O O62 1 0.75000000 0.13960703 0.38960703 1.0 O O63 1 0.25000000 0.38960703 0.13960703 1.0