# generated using pymatgen data_BaO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99010700 _cell_length_b 8.47110100 _cell_length_c 11.40277055 _cell_angle_alpha 56.14328880 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaO10 _chemical_formula_sum 'Ba4 O40' _cell_volume 721.14058232 _cell_formula_units_Z 4 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 0.33873500 0.74411400 0.49640200 1.0 Ba Ba1 1 0.16126500 0.74411400 0.99640200 1.0 Ba Ba2 1 0.66126500 0.25588600 0.50359800 1.0 Ba Ba3 1 0.83873500 0.25588600 0.00359800 1.0 O O4 1 0.05278600 0.92250900 0.42223000 1.0 O O5 1 0.44721400 0.92250900 0.92223000 1.0 O O6 1 0.94721400 0.07749100 0.57777000 1.0 O O7 1 0.55278600 0.07749100 0.07777000 1.0 O O8 1 0.13563100 0.66218100 0.78642600 1.0 O O9 1 0.36436900 0.66218100 0.28642600 1.0 O O10 1 0.86436900 0.33781900 0.21357400 1.0 O O11 1 0.63563100 0.33781900 0.71357400 1.0 O O12 1 0.47592100 0.14505800 0.29912100 1.0 O O13 1 0.02407900 0.14505800 0.79912100 1.0 O O14 1 0.52407900 0.85494200 0.70087900 1.0 O O15 1 0.97592100 0.85494200 0.20087900 1.0 O O16 1 0.58862700 0.64664800 0.38618000 1.0 O O17 1 0.91137300 0.64664800 0.88618000 1.0 O O18 1 0.41137300 0.35335200 0.61382000 1.0 O O19 1 0.08862700 0.35335200 0.11382000 1.0 O O20 1 0.03912900 0.60262200 0.55814000 1.0 O O21 1 0.46087100 0.60262200 0.05814000 1.0 O O22 1 0.96087100 0.39737800 0.44186000 1.0 O O23 1 0.53912900 0.39737800 0.94186000 1.0 O O24 1 0.12437300 0.86817400 0.18651000 1.0 O O25 1 0.37562700 0.86817400 0.68651000 1.0 O O26 1 0.87562700 0.13182600 0.81349000 1.0 O O27 1 0.62437300 0.13182600 0.31349000 1.0 O O28 1 0.48876500 0.37207500 0.70966300 1.0 O O29 1 0.01123500 0.37207500 0.20966300 1.0 O O30 1 0.51123500 0.62792500 0.29033700 1.0 O O31 1 0.98876500 0.62792500 0.79033700 1.0 O O32 1 0.59343500 0.81843100 0.61284500 1.0 O O33 1 0.90656500 0.81843100 0.11284500 1.0 O O34 1 0.40656500 0.18156900 0.38715500 1.0 O O35 1 0.09343500 0.18156900 0.88715500 1.0 O O36 1 0.41408900 0.08396100 0.07255800 1.0 O O37 1 0.08591100 0.08396100 0.57255800 1.0 O O38 1 0.58591100 0.91603900 0.92744200 1.0 O O39 1 0.91408900 0.91603900 0.42744200 1.0 O O40 1 0.40205800 0.37251800 0.95277200 1.0 O O41 1 0.09794200 0.37251800 0.45277200 1.0 O O42 1 0.59794200 0.62748200 0.04722800 1.0 O O43 1 0.90205800 0.62748200 0.54722800 1.0