# generated using pymatgen data_Ba3Na3(CO3)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81122370 _cell_length_b 10.81145588 _cell_length_c 6.83327853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00070987 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Na3(CO3)5 _chemical_formula_sum 'Ba6 Na6 C10 O30' _cell_volume 691.69666620 _cell_formula_units_Z 2 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 0.84125523 0.68248677 0.83020959 1.0 Ba Ba1 1 0.84125523 0.15876846 0.83020959 1.0 Ba Ba2 1 0.15874477 0.31751323 0.33020959 1.0 Ba Ba3 1 0.31751766 0.15875883 0.83019867 1.0 Ba Ba4 1 0.15874477 0.84123154 0.33020959 1.0 Ba Ba5 1 0.68248234 0.84124117 0.33019867 1.0 Na Na6 1 0.52359425 0.04719300 0.52675443 1.0 Na Na7 1 0.52359425 0.47640125 0.52675443 1.0 Na Na8 1 0.47640575 0.95280700 0.02675443 1.0 Na Na9 1 0.95281568 0.47640784 0.52674753 1.0 Na Na10 1 0.47640575 0.52359875 0.02675443 1.0 Na Na11 1 0.04718432 0.52359216 0.02674753 1.0 C C12 1 0.20708288 0.41421381 0.79306414 1.0 C C13 1 0.20708288 0.79286807 0.79306414 1.0 C C14 1 0.79291712 0.58578619 0.29306414 1.0 C C15 1 0.58580291 0.79290095 0.79305864 1.0 C C16 1 0.79291712 0.20713193 0.29306414 1.0 C C17 1 0.41419709 0.20709905 0.29305864 1.0 C C18 1 0.66668656 0.33334278 0.83262107 1.0 C C19 1 0.33331344 0.66665722 0.33262107 1.0 C C20 1 0.00000011 0.00000006 0.00600578 1.0 C C21 1 -0.00000011 -0.00000006 0.50600578 1.0 O O22 1 0.60747127 0.69992542 0.70333006 1.0 O O23 1 0.09245684 0.39257214 0.70331986 1.0 O O24 1 0.39252873 0.30007458 0.20333006 1.0 O O25 1 0.09245684 0.69988470 0.70331986 1.0 O O26 1 0.30005499 0.90751075 0.70334449 1.0 O O27 1 0.90754316 0.60742786 0.20331986 1.0 O O28 1 0.30005499 0.39254424 0.70334449 1.0 O O29 1 0.90754316 0.30011530 0.20331986 1.0 O O30 1 0.69994501 0.09248925 0.20334449 1.0 O O31 1 0.69994501 0.60745576 0.20334449 1.0 O O32 1 0.60747127 0.90754585 0.70333006 1.0 O O33 1 0.39252873 0.09245415 0.20333006 1.0 O O34 1 0.22748090 0.45502082 0.97157339 1.0 O O35 1 0.22748090 0.77245908 0.97157339 1.0 O O36 1 0.77251910 0.54497918 0.47157339 1.0 O O37 1 0.54496853 0.77248376 0.97156109 1.0 O O38 1 0.77251910 0.22754092 0.47157339 1.0 O O39 1 0.45503147 0.22751624 0.47156109 1.0 O O40 1 0.59766225 0.19530102 0.83286372 1.0 O O41 1 0.59766225 0.40236123 0.83286372 1.0 O O42 1 0.40233775 0.80469898 0.33286372 1.0 O O43 1 0.80473442 0.40236721 0.83286986 1.0 O O44 1 0.40233775 0.59763877 0.33286372 1.0 O O45 1 0.19526558 0.59763279 0.33286986 1.0 O O46 1 0.06896521 0.13794261 0.00333682 1.0 O O47 1 0.06896521 0.93102260 0.00333682 1.0 O O48 1 0.93103479 0.86205739 0.50333682 1.0 O O49 1 0.86205426 0.93102713 0.00334236 1.0 O O50 1 0.93103479 0.06897740 0.50333682 1.0 O O51 1 0.13794574 0.06897287 0.50334236 1.0