# generated using pymatgen data_Ba5Pt2O9F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05497104 _cell_length_b 6.05497134 _cell_length_c 17.93756948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.46671730 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Pt2O9F _chemical_formula_sum 'Ba10 Pt4 O18 F2' _cell_volume 566.83499054 _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 0.16794701 0.83205299 0.01173555 1.0 Ba Ba1 1 0.83205299 0.16794701 0.51173555 1.0 Ba Ba2 1 0.83216690 0.16783310 0.74575760 1.0 Ba Ba3 1 0.16783310 0.83216690 0.24575760 1.0 Ba Ba4 1 0.50194305 0.49805695 0.35692256 1.0 Ba Ba5 1 0.49805695 0.50194305 0.85692256 1.0 Ba Ba6 1 0.50050875 0.49949125 0.63502797 1.0 Ba Ba7 1 0.83430647 0.16569353 0.98075337 1.0 Ba Ba8 1 0.49949125 0.50050875 0.13502797 1.0 Ba Ba9 1 0.16569353 0.83430647 0.48075337 1.0 Pt Pt10 1 0.17088628 0.82911372 0.66988923 1.0 Pt Pt11 1 0.16148179 0.83851821 0.82261061 1.0 Pt Pt12 1 0.82911372 0.17088628 0.16988923 1.0 Pt Pt13 1 0.83851821 0.16148179 0.32261061 1.0 O O14 1 0.47171324 0.00980461 0.88464066 1.0 O O15 1 0.00432616 0.99567384 0.88340364 1.0 O O16 1 0.68493541 0.31506459 0.24844379 1.0 O O17 1 0.31436488 0.13268955 0.74512469 1.0 O O18 1 0.00980461 0.47171324 0.38464066 1.0 O O19 1 0.99019539 0.52828676 0.88464066 1.0 O O20 1 0.02826914 0.51487334 0.60922681 1.0 O O21 1 0.01785454 0.98214546 0.60572777 1.0 O O22 1 0.51487334 0.02826914 0.10922681 1.0 O O23 1 0.86731045 0.68563512 0.74512469 1.0 O O24 1 0.68563512 0.86731045 0.24512469 1.0 O O25 1 0.13268955 0.31436488 0.24512469 1.0 O O26 1 0.99567384 0.00432616 0.38340364 1.0 O O27 1 0.31506459 0.68493541 0.74844379 1.0 O O28 1 0.48512666 0.97173086 0.60922681 1.0 O O29 1 0.97173086 0.48512666 0.10922681 1.0 O O30 1 0.52828676 0.99019539 0.38464066 1.0 O O31 1 0.98214546 0.01785454 0.10572777 1.0 F F32 1 0.43746257 0.56253743 0.99594559 1.0 F F33 1 0.56253743 0.43746257 0.49594559 1.0