# generated using pymatgen data_Ba3LiOs2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84527616 _cell_length_b 5.84527508 _cell_length_c 14.09025581 _cell_angle_alpha 89.99998273 _cell_angle_beta 90.00001042 _cell_angle_gamma 120.00002535 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3LiOs2O9 _chemical_formula_sum 'Ba6 Li2 Os4 O18' _cell_volume 416.92639133 _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 0.00000016 0.00000017 0.24999869 1.0 Ba Ba1 1 0.99999984 0.99999997 0.75003252 1.0 Ba Ba2 1 0.33333290 0.66666672 0.91318278 1.0 Ba Ba3 1 0.66666670 0.33333305 0.41317586 1.0 Ba Ba4 1 0.66666704 0.33333325 0.08677801 1.0 Ba Ba5 1 0.33333296 0.66666685 0.58680501 1.0 Li Li6 1 0.00000000 0.99999998 -0.00000196 1.0 Li Li7 1 0.99999997 0.00000002 0.49998958 1.0 Os Os8 1 0.33333331 0.66666634 0.15996911 1.0 Os Os9 1 0.66666655 0.33333333 0.65999262 1.0 Os Os10 1 0.66666671 0.33333356 0.84002279 1.0 Os Os11 1 0.33333356 0.66666646 0.34001308 1.0 O O12 1 0.49258916 0.98517865 0.25000760 1.0 O O13 1 0.50741988 0.49258047 0.75002714 1.0 O O14 1 0.98516041 0.49258047 0.75002719 1.0 O O15 1 0.01482126 0.50741046 0.25000761 1.0 O O16 1 0.49258895 0.50741028 0.25000764 1.0 O O17 1 0.50741990 0.01483958 0.75002710 1.0 O O18 1 0.17635370 0.35270662 0.41250296 1.0 O O19 1 0.82364186 0.17635838 0.91250922 1.0 O O20 1 0.35271614 0.17635803 0.91250907 1.0 O O21 1 0.64729307 0.82364611 0.41250287 1.0 O O22 1 0.17635364 0.82364649 0.41250305 1.0 O O23 1 0.82364162 0.64728349 0.58748828 1.0 O O24 1 0.82364165 0.17635834 0.58748820 1.0 O O25 1 0.82364188 0.64728386 0.91250912 1.0 O O26 1 0.35271649 0.17635853 0.58748829 1.0 O O27 1 0.64730743 0.82365380 0.08747887 1.0 O O28 1 0.17634668 0.35269306 0.08747892 1.0 O O29 1 0.17634658 0.82365368 0.08747877 1.0