# generated using pymatgen data_BaOs5O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51985409 _cell_length_b 5.51985491 _cell_length_c 16.72729716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.32391342 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOs5O13 _chemical_formula_sum 'Ba2 Os10 O26' _cell_volume 483.81789307 _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 0.87607761 0.12682125 0.75000000 1.0 Ba Ba1 1 0.12682125 0.87607761 0.25000000 1.0 Os Os2 1 0.38446424 0.61841218 0.07228413 1.0 Os Os3 1 0.61841218 0.38446424 0.92771587 1.0 Os Os4 1 0.00143005 0.00143005 0.00000000 1.0 Os Os5 1 0.38446424 0.61841218 0.42771587 1.0 Os Os6 1 0.61841218 0.38446424 0.57228413 1.0 Os Os7 1 0.00143005 0.00143005 0.50000000 1.0 Os Os8 1 0.76187380 0.24104240 0.36428370 1.0 Os Os9 1 0.76187380 0.24104240 0.13571630 1.0 Os Os10 1 0.24104240 0.76187380 0.86428370 1.0 Os Os11 1 0.24104240 0.76187380 0.63571630 1.0 O O12 1 0.51921090 0.06960131 0.86974172 1.0 O O13 1 0.06960131 0.51921090 0.36974172 1.0 O O14 1 0.06960131 0.51921090 0.13025828 1.0 O O15 1 0.51921090 0.06960131 0.63025828 1.0 O O16 1 0.30885065 0.30885065 0.00000000 1.0 O O17 1 0.30885065 0.30885065 0.50000000 1.0 O O18 1 0.02210563 0.98080316 0.61487474 1.0 O O19 1 0.21327225 0.78992112 0.75000000 1.0 O O20 1 0.22400387 0.77883976 0.98692533 1.0 O O21 1 0.22400387 0.77883976 0.51307467 1.0 O O22 1 0.45494361 0.54789338 0.64415855 1.0 O O23 1 0.54789338 0.45494361 0.14415855 1.0 O O24 1 0.77883976 0.22400387 0.48692533 1.0 O O25 1 0.98080316 0.02210563 0.38512526 1.0 O O26 1 0.54789338 0.45494361 0.35584145 1.0 O O27 1 0.98080316 0.02210563 0.11487474 1.0 O O28 1 0.78992112 0.21327225 0.25000000 1.0 O O29 1 0.77883976 0.22400387 0.01307467 1.0 O O30 1 0.02210563 0.98080316 0.88512526 1.0 O O31 1 0.45494361 0.54789338 0.85584145 1.0 O O32 1 0.69400264 0.69400264 0.50000000 1.0 O O33 1 0.69400264 0.69400264 0.00000000 1.0 O O34 1 0.48373553 0.93326427 0.36972763 1.0 O O35 1 0.93326427 0.48373553 0.63027237 1.0 O O36 1 0.93326427 0.48373553 0.86972763 1.0 O O37 1 0.48373553 0.93326427 0.13027237 1.0