# generated using pymatgen data_Ba4Ce2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.19785121 _cell_length_b 11.37933552 _cell_length_c 7.86691282 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.26491590 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ce2O7 _chemical_formula_sum 'Ba24 Ce12 O42' _cell_volume 1718.17746079 _cell_formula_units_Z 6 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 Ba Ba0 1 0.08576084 0.40086655 0.83669486 1.0 Ba Ba1 1 0.08911882 0.75216598 0.97439646 1.0 Ba Ba2 1 0.08576084 0.09913345 0.33669486 1.0 Ba Ba3 1 0.08911882 0.74783402 0.47439646 1.0 Ba Ba4 1 0.24885069 0.94423636 0.69866381 1.0 Ba Ba5 1 0.25414533 0.27190662 0.53129591 1.0 Ba Ba6 1 0.24885069 0.55576364 0.19866381 1.0 Ba Ba7 1 0.25414533 0.22809338 0.03129591 1.0 Ba Ba8 1 0.41968171 0.77922990 0.01606838 1.0 Ba Ba9 1 0.41015059 0.44515911 0.83277318 1.0 Ba Ba10 1 0.41968171 0.72077010 0.51606838 1.0 Ba Ba11 1 0.41015059 0.05484089 0.33277318 1.0 Ba Ba12 1 0.58984941 0.94515911 0.66722682 1.0 Ba Ba13 1 0.58031829 0.27922990 0.48393162 1.0 Ba Ba14 1 0.58984941 0.55484089 0.16722682 1.0 Ba Ba15 1 0.58031829 0.22077010 0.98393162 1.0 Ba Ba16 1 0.74585467 0.77190662 0.96870409 1.0 Ba Ba17 1 0.75114931 0.44423636 0.80133619 1.0 Ba Ba18 1 0.74585467 0.72809338 0.46870409 1.0 Ba Ba19 1 0.75114931 0.05576364 0.30133619 1.0 Ba Ba20 1 0.91088118 0.25216598 0.52560354 1.0 Ba Ba21 1 0.91423916 0.90086655 0.66330514 1.0 Ba Ba22 1 0.91088118 0.24783402 0.02560354 1.0 Ba Ba23 1 0.91423916 0.59913345 0.16330514 1.0 Ce Ce24 1 0.08128616 0.07525197 0.82615641 1.0 Ce Ce25 1 0.08128616 0.42474803 0.32615641 1.0 Ce Ce26 1 0.24084339 0.57755177 0.68928709 1.0 Ce Ce27 1 0.24084339 0.92244823 0.18928709 1.0 Ce Ce28 1 0.41705597 0.07976239 0.82249671 1.0 Ce Ce29 1 0.41705597 0.42023761 0.32249671 1.0 Ce Ce30 1 0.58294403 0.57976239 0.67750329 1.0 Ce Ce31 1 0.58294403 0.92023761 0.17750329 1.0 Ce Ce32 1 0.75915661 0.07755177 0.81071291 1.0 Ce Ce33 1 0.75915661 0.42244823 0.31071291 1.0 Ce Ce34 1 0.91871384 0.57525197 0.67384359 1.0 Ce Ce35 1 0.91871384 0.92474803 0.17384359 1.0 O O36 1 0.00239324 0.20845820 0.78659075 1.0 O O37 1 0.00239324 0.29154180 0.28659075 1.0 O O38 1 0.07808500 0.95908119 0.61193822 1.0 O O39 1 0.07808500 0.54091881 0.11193822 1.0 O O40 1 0.16257401 0.19430723 0.76471513 1.0 O O41 1 0.14792753 0.50490412 0.55179051 1.0 O O42 1 0.16257401 0.30569277 0.26471513 1.0 O O43 1 0.14792753 0.99509588 0.05179051 1.0 O O44 1 0.19567324 0.74428992 0.75483085 1.0 O O45 1 0.23759131 0.45636925 0.89978581 1.0 O O46 1 0.19567324 0.75571008 0.25483085 1.0 O O47 1 0.23759131 0.04363075 0.39978581 1.0 O O48 1 0.33149029 0.50094556 0.52950246 1.0 O O49 1 0.34990644 0.23245579 0.78373430 1.0 O O50 1 0.33149029 0.99905444 0.02950246 1.0 O O51 1 0.34990644 0.26754421 0.28373430 1.0 O O52 1 0.38993209 0.93722237 0.64470405 1.0 O O53 1 0.38993209 0.56277763 0.14470405 1.0 O O54 1 0.48947379 0.65357453 0.81032775 1.0 O O55 1 0.51052621 0.15357453 0.68967225 1.0 O O56 1 0.50000000 0.50000000 0.50000000 1.0 O O57 1 0.48947379 0.84642547 0.31032775 1.0 O O58 1 0.51052621 0.34642547 0.18967225 1.0 O O59 1 0.50000000 0.00000000 0.00000000 1.0 O O60 1 0.61006791 0.43722237 0.85529595 1.0 O O61 1 0.61006791 0.06277763 0.35529595 1.0 O O62 1 0.65009356 0.73245579 0.71626570 1.0 O O63 1 0.66850971 0.00094556 0.97049754 1.0 O O64 1 0.65009356 0.76754421 0.21626570 1.0 O O65 1 0.66850971 0.49905444 0.47049754 1.0 O O66 1 0.76240869 0.95636925 0.60021419 1.0 O O67 1 0.80432676 0.24428992 0.74516915 1.0 O O68 1 0.76240869 0.54363075 0.10021419 1.0 O O69 1 0.80432676 0.25571008 0.24516915 1.0 O O70 1 0.85207247 0.00490412 0.94820949 1.0 O O71 1 0.83742599 0.69430723 0.73528487 1.0 O O72 1 0.85207247 0.49509588 0.44820949 1.0 O O73 1 0.83742599 0.80569277 0.23528487 1.0 O O74 1 0.92191500 0.45908119 0.88806178 1.0 O O75 1 0.92191500 0.04091881 0.38806178 1.0 O O76 1 0.99760676 0.70845820 0.71340925 1.0 O O77 1 0.99760676 0.79154180 0.21340925 1.0