# generated using pymatgen data_Na5Ca2Ce3Ti8Nb2O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94628810 _cell_length_b 3.94601481 _cell_length_c 39.09871600 _cell_angle_alpha 90.02670832 _cell_angle_beta 90.00361026 _cell_angle_gamma 90.00024013 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ca2Ce3Ti8Nb2O30 _chemical_formula_sum 'Na5 Ca2 Ce3 Ti8 Nb2 O30' _cell_volume 608.84948901 _cell_formula_units_Z 1 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 Na Na0 1 0.99999296 0.99998109 0.00032133 1.0 Na Na1 1 0.00001189 0.00003348 0.20024987 1.0 Na Na2 1 0.00000237 0.00002386 0.40068004 1.0 Na Na3 1 0.00000393 0.99998389 0.60289684 1.0 Na Na4 1 0.00000399 0.00001895 0.90150227 1.0 Ca Ca5 1 0.00000436 0.00007055 0.69411921 1.0 Ca Ca6 1 0.99999589 0.00005467 0.79322369 1.0 Ce Ce7 1 0.00008069 0.99998769 0.10038734 1.0 Ce Ce8 1 0.99999132 0.99999421 0.30025898 1.0 Ce Ce9 1 0.99999751 0.99996929 0.50061542 1.0 Ti Ti10 1 0.50002996 0.49992570 0.15126298 1.0 Ti Ti11 1 0.50002203 0.50004396 0.05071245 1.0 Ti Ti12 1 0.49998698 0.49997887 0.35134689 1.0 Ti Ti13 1 0.50001134 0.50001743 0.24949951 1.0 Ti Ti14 1 0.49999745 0.49994048 0.44970922 1.0 Ti Ti15 1 0.49998484 0.49992837 0.64927762 1.0 Ti Ti16 1 0.50000047 0.50002896 0.55150399 1.0 Ti Ti17 1 0.49999208 0.49998635 0.74779619 1.0 Nb Nb18 1 0.49999935 0.50000783 0.84898954 1.0 Nb Nb19 1 0.49999799 0.50000988 0.95113807 1.0 O O20 1 0.99999128 0.50022609 0.05619775 1.0 O O21 1 0.99997839 0.49980796 0.14478406 1.0 O O22 1 0.00001181 0.50008197 0.54397769 1.0 O O23 1 -0.00000058 0.50001135 0.95049941 1.0 O O24 1 0.50000531 0.50004384 0.00260317 1.0 O O25 1 0.49994235 0.50003221 0.10077376 1.0 O O26 1 0.50000505 -0.00000518 0.05616383 1.0 O O27 1 0.49999679 0.49998814 0.20005495 1.0 O O28 1 0.49996543 0.00004893 0.14482007 1.0 O O29 1 0.50000447 0.49999414 0.29994299 1.0 O O30 1 0.50002242 0.99988842 0.25508743 1.0 O O31 1 0.50000060 0.49999500 0.39972743 1.0 O O32 1 0.49997638 0.00010330 0.34451943 1.0 O O33 1 0.49999506 0.99988735 0.45480765 1.0 O O34 1 0.50000529 0.00012102 0.54397857 1.0 O O35 1 0.50000002 0.49999878 0.49969396 1.0 O O36 1 0.49999878 0.49999800 0.59916523 1.0 O O37 1 0.50000217 0.99994624 0.65318667 1.0 O O38 1 0.49999355 0.99996187 0.75140812 1.0 O O39 1 0.50000626 0.50002604 0.70025938 1.0 O O40 1 0.49999658 0.00001680 0.84737301 1.0 O O41 1 0.50000516 0.49999723 0.79872077 1.0 O O42 1 0.49999743 0.50000030 0.89988556 1.0 O O43 1 0.50000143 0.00001664 0.95049576 1.0 O O44 1 0.99999301 0.50002350 0.25508906 1.0 O O45 1 0.00000821 0.49997627 0.34451611 1.0 O O46 1 0.99998861 0.49995384 0.45481090 1.0 O O47 1 0.00000215 0.49995882 0.65318699 1.0 O O48 1 -0.00000081 0.49992891 0.75140608 1.0 O O49 1 -0.00000002 0.49998666 0.84737275 1.0