# generated using pymatgen data_Ce2Si2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31379661 _cell_length_b 10.16157793 _cell_length_c 23.52592391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Si2O7 _chemical_formula_sum 'Ce24 Si24 O84' _cell_volume 1748.43994167 _cell_formula_units_Z 12 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 0.58551671 0.63573229 0.83598002 1.0 Ce Ce1 1 0.12024271 0.50526383 0.92380425 1.0 Ce Ce2 1 0.85736005 0.73625382 0.68650498 1.0 Ce Ce3 1 0.41448329 0.13573229 0.16401998 1.0 Ce Ce4 1 0.64267267 0.76339815 0.18268590 1.0 Ce Ce5 1 0.14263995 0.23625382 0.31349502 1.0 Ce Ce6 1 0.88732418 0.85693758 0.33952231 1.0 Ce Ce7 1 0.64267267 0.26339815 0.31731410 1.0 Ce Ce8 1 0.12024271 0.00526383 0.57619575 1.0 Ce Ce9 1 0.14263995 0.73625382 0.18650498 1.0 Ce Ce10 1 0.35732733 0.26339815 0.81731410 1.0 Ce Ce11 1 0.37480486 0.50604431 0.07771685 1.0 Ce Ce12 1 0.41448329 0.63573229 0.33598002 1.0 Ce Ce13 1 0.87975729 0.50526383 0.42380425 1.0 Ce Ce14 1 0.11267582 0.85693758 0.83952231 1.0 Ce Ce15 1 0.85736005 0.23625382 0.81349502 1.0 Ce Ce16 1 0.37480486 0.00604431 0.42228315 1.0 Ce Ce17 1 0.62519514 0.50604431 0.57771685 1.0 Ce Ce18 1 0.35732733 0.76339815 0.68268590 1.0 Ce Ce19 1 0.62519514 0.00604431 0.92228315 1.0 Ce Ce20 1 0.88732418 0.35693758 0.16047769 1.0 Ce Ce21 1 0.11267582 0.35693758 0.66047769 1.0 Ce Ce22 1 0.87975729 0.00526383 0.07619575 1.0 Ce Ce23 1 0.58551671 0.13573229 0.66401998 1.0 Si Si24 1 0.84895281 0.24158230 0.53271311 1.0 Si Si25 1 0.11295377 0.12627588 0.91567325 1.0 Si Si26 1 0.41950844 0.24349658 0.53632327 1.0 Si Si27 1 0.15104719 0.74158230 0.46728689 1.0 Si Si28 1 0.57367260 0.43429089 0.72079920 1.0 Si Si29 1 0.15104719 0.24158230 0.03271311 1.0 Si Si30 1 0.07309223 0.55812969 0.77686339 1.0 Si Si31 1 0.38332746 0.88066742 0.07887794 1.0 Si Si32 1 0.38332746 0.38066742 0.42112206 1.0 Si Si33 1 0.84895281 0.74158230 0.96728689 1.0 Si Si34 1 0.58049156 0.24349658 0.03632327 1.0 Si Si35 1 0.42632740 0.93429089 0.27920080 1.0 Si Si36 1 0.88704623 0.12627588 0.41567325 1.0 Si Si37 1 0.42632740 0.43429089 0.22079920 1.0 Si Si38 1 0.57367260 0.93429089 0.77920080 1.0 Si Si39 1 0.88704623 0.62627588 0.08432675 1.0 Si Si40 1 0.11295377 0.62627588 0.58432675 1.0 Si Si41 1 0.61667254 0.38066742 0.92112206 1.0 Si Si42 1 0.92690777 0.05812969 0.22313661 1.0 Si Si43 1 0.58049156 0.74349658 0.46367673 1.0 Si Si44 1 0.41950844 0.74349658 0.96367673 1.0 Si Si45 1 0.92690777 0.55812969 0.27686339 1.0 Si Si46 1 0.07309223 0.05812969 0.72313661 1.0 Si Si47 1 0.61667254 0.88066742 0.57887794 1.0 O O48 1 0.63712586 0.40146642 0.78696139 1.0 O O49 1 0.05193403 0.39623865 0.77530482 1.0 O O50 1 0.02258787 0.72083563 0.41224020 1.0 O O51 1 0.58185876 0.86951427 0.50855600 1.0 O O52 1 0.70135592 0.87887461 0.83127596 1.0 O O53 1 0.30533813 0.56000491 0.60404729 1.0 O O54 1 0.37837136 0.73236502 0.10850154 1.0 O O55 1 0.29864408 0.37887461 0.16872404 1.0 O O56 1 0.44127855 0.59662532 0.21796125 1.0 O O57 1 0.55872145 0.59662532 0.71796125 1.0 O O58 1 0.06163448 0.04688617 0.38837896 1.0 O O59 1 0.22023952 0.60071273 0.82570015 1.0 O O60 1 0.69466187 0.56000491 0.10404729 1.0 O O61 1 0.79860384 0.46067323 0.90216711 1.0 O O62 1 0.06163448 0.54688617 0.11162104 1.0 O O63 1 0.13458733 0.60164873 0.71195751 1.0 O O64 1 0.10640960 0.27585265 0.88753621 1.0 O O65 1 0.61497494 0.34448095 0.21764178 1.0 O O66 1 0.94806597 0.89623865 0.22469518 1.0 O O67 1 0.97741213 0.72083563 0.91224020 1.0 O O68 1 0.15998587 0.88950667 0.49098038 1.0 O O69 1 0.58185876 0.36951427 0.99144400 1.0 O O70 1 0.43753123 0.95243125 0.60765610 1.0 O O71 1 0.20139616 0.46067323 0.40216711 1.0 O O72 1 0.79860384 0.96067323 0.59783289 1.0 O O73 1 0.88497710 0.14626851 0.71357188 1.0 O O74 1 0.69466187 0.06000491 0.39595271 1.0 O O75 1 0.37837136 0.23236502 0.39149846 1.0 O O76 1 0.36287414 0.90146642 0.21303861 1.0 O O77 1 0.68224638 0.12015971 0.00825442 1.0 O O78 1 0.31775362 0.12015971 0.50825442 1.0 O O79 1 0.41814124 0.36951427 0.49144400 1.0 O O80 1 0.02258787 0.22083563 0.08775980 1.0 O O81 1 0.86541267 0.10164873 0.28804249 1.0 O O82 1 0.97741213 0.22083563 0.58775980 1.0 O O83 1 0.68224638 0.62015971 0.49174558 1.0 O O84 1 0.64047240 0.28802315 0.09930773 1.0 O O85 1 0.20139616 0.96067323 0.09783289 1.0 O O86 1 0.36287414 0.40146642 0.28696139 1.0 O O87 1 0.84001413 0.38950667 0.50901962 1.0 O O88 1 0.08761916 0.63194498 0.51464750 1.0 O O89 1 0.91238084 0.63194498 0.01464750 1.0 O O90 1 0.56246877 0.45243125 0.39234390 1.0 O O91 1 0.86541267 0.60164873 0.21195751 1.0 O O92 1 0.70135592 0.37887461 0.66872404 1.0 O O93 1 0.89359040 0.77585265 0.11246379 1.0 O O94 1 0.64047240 0.78802315 0.40069227 1.0 O O95 1 0.36362631 0.70551368 0.44792560 1.0 O O96 1 0.93836552 0.04688617 0.88837896 1.0 O O97 1 0.31775362 0.62015971 0.99174558 1.0 O O98 1 0.88497710 0.64626851 0.78642812 1.0 O O99 1 0.77976048 0.10071273 0.17429985 1.0 O O100 1 0.11502290 0.14626851 0.21357188 1.0 O O101 1 0.93836552 0.54688617 0.61162104 1.0 O O102 1 0.22023952 0.10071273 0.67429985 1.0 O O103 1 0.30533813 0.06000491 0.89595271 1.0 O O104 1 0.94806597 0.39623865 0.27530482 1.0 O O105 1 0.10640960 0.77585265 0.61246379 1.0 O O106 1 0.89359040 0.27585265 0.38753621 1.0 O O107 1 0.38502506 0.34448095 0.71764178 1.0 O O108 1 0.63712586 0.90146642 0.71303861 1.0 O O109 1 0.61497494 0.84448095 0.28235822 1.0 O O110 1 0.36362631 0.20551368 0.05207440 1.0 O O111 1 0.29864408 0.87887461 0.33127596 1.0 O O112 1 0.38502506 0.84448095 0.78235822 1.0 O O113 1 0.62162864 0.73236502 0.60850154 1.0 O O114 1 0.35952760 0.78802315 0.90069227 1.0 O O115 1 0.05193403 0.89623865 0.72469518 1.0 O O116 1 0.43753123 0.45243125 0.89234390 1.0 O O117 1 0.13458733 0.10164873 0.78804249 1.0 O O118 1 0.55872145 0.09662532 0.78203875 1.0 O O119 1 0.41814124 0.86951427 0.00855600 1.0 O O120 1 0.77976048 0.60071273 0.32570015 1.0 O O121 1 0.56246877 0.95243125 0.10765610 1.0 O O122 1 0.15998587 0.38950667 0.00901962 1.0 O O123 1 0.35952760 0.28802315 0.59930773 1.0 O O124 1 0.44127855 0.09662532 0.28203875 1.0 O O125 1 0.63637369 0.70551368 0.94792560 1.0 O O126 1 0.63637369 0.20551368 0.55207440 1.0 O O127 1 0.08761916 0.13194498 0.98535250 1.0 O O128 1 0.91238084 0.13194498 0.48535250 1.0 O O129 1 0.62162864 0.23236502 0.89149846 1.0 O O130 1 0.84001413 0.88950667 0.99098038 1.0 O O131 1 0.11502290 0.64626851 0.28642812 1.0