# generated using pymatgen data_Ba3NaOs2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92501090 _cell_length_b 5.92501024 _cell_length_c 14.33457574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NaOs2O9 _chemical_formula_sum 'Ba6 Na2 Os4 O18' _cell_volume 435.80651298 _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 0.66666684 0.33333314 0.08839610 1.0 Ba Ba1 1 0.33333316 0.66666686 0.58839610 1.0 Ba Ba2 1 0.33333316 0.66666686 0.91160390 1.0 Ba Ba3 1 0.66666684 0.33333314 0.41160390 1.0 Ba Ba4 1 0.00000002 0.00000001 0.25000000 1.0 Ba Ba5 1 0.99999998 0.99999999 0.75000000 1.0 Na Na6 1 0.00000000 -0.00000000 -0.00000000 1.0 Na Na7 1 0.00000000 -0.00000000 0.50000000 1.0 Os Os8 1 0.33333331 0.66666668 0.16212925 1.0 Os Os9 1 0.66666669 0.33333332 0.66212925 1.0 Os Os10 1 0.66666669 0.33333332 0.83787075 1.0 Os Os11 1 0.33333331 0.66666668 0.33787075 1.0 O O12 1 0.17963229 0.35926471 0.09093397 1.0 O O13 1 0.82036766 0.17963230 0.59093398 1.0 O O14 1 0.35926462 0.17963219 0.59093396 1.0 O O15 1 0.64073538 0.82036781 0.09093396 1.0 O O16 1 0.17963234 0.82036770 0.09093398 1.0 O O17 1 0.82036771 0.64073529 0.90906603 1.0 O O18 1 0.82036766 0.17963230 0.90906602 1.0 O O19 1 0.82036771 0.64073529 0.59093397 1.0 O O20 1 0.35926462 0.17963219 0.90906604 1.0 O O21 1 0.64073538 0.82036781 0.40906604 1.0 O O22 1 0.17963229 0.35926471 0.40906603 1.0 O O23 1 0.17963234 0.82036770 0.40906602 1.0 O O24 1 0.01597877 0.50798943 0.25000000 1.0 O O25 1 0.50798938 0.01597871 0.75000000 1.0 O O26 1 0.50798937 0.49201044 0.75000000 1.0 O O27 1 0.49201063 0.50798956 0.25000000 1.0 O O28 1 0.49201062 0.98402129 0.25000000 1.0 O O29 1 0.98402123 0.49201057 0.75000000 1.0