# generated using pymatgen data_Ba8Bi10O27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89095026 _cell_length_b 9.89095026 _cell_length_c 9.89094995 _cell_angle_alpha 66.50358322 _cell_angle_beta 66.50358322 _cell_angle_gamma 66.50358723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Bi10O27 _chemical_formula_sum 'Ba8 Bi10 O27' _cell_volume 780.06645864 _cell_formula_units_Z 1 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 0.88868900 0.21770300 0.57297600 1.0 Ba Ba1 1 0.33485200 0.33485200 0.33485200 1.0 Ba Ba2 1 0.42702400 0.11131100 0.78229700 1.0 Ba Ba3 1 0.78229700 0.42702400 0.11131100 1.0 Ba Ba4 1 0.21770300 0.57297600 0.88868900 1.0 Ba Ba5 1 0.66514800 0.66514800 0.66514800 1.0 Ba Ba6 1 0.11131100 0.78229700 0.42702400 1.0 Ba Ba7 1 0.57297600 0.88868900 0.21770300 1.0 Bi Bi8 1 0.16604400 0.16604400 0.16604400 1.0 Bi Bi9 1 0.72414800 0.05611000 0.38829700 1.0 Bi Bi10 1 0.61170300 0.27585200 0.94389000 1.0 Bi Bi11 1 0.05611000 0.38829700 0.72414800 1.0 Bi Bi12 1 0.50000000 0.50000000 0.50000000 1.0 Bi Bi13 1 0.38829700 0.72414800 0.05611000 1.0 Bi Bi14 1 0.94389000 0.61170300 0.27585200 1.0 Bi Bi15 1 0.83395600 0.83395600 0.83395600 1.0 Bi Bi16 1 0.27585200 0.94389000 0.61170300 1.0 Bi Bi17 1 0.00000000 0.00000000 0.00000000 1.0 O O18 1 0.39630800 0.21000700 0.05338700 1.0 O O19 1 0.94497200 0.10611100 0.25351700 1.0 O O20 1 0.21000700 0.05338700 0.39630800 1.0 O O21 1 0.67978000 0.15994300 0.15963500 1.0 O O22 1 0.74648300 0.05502800 0.89388900 1.0 O O23 1 0.15994300 0.15963500 0.67978000 1.0 O O24 1 0.61558500 0.28463200 0.42862500 1.0 O O25 1 0.05338700 0.39630800 0.21000700 1.0 O O26 1 0.84036500 0.32022000 0.84005700 1.0 O O27 1 0.10611100 0.25351700 0.94497200 1.0 O O28 1 0.15963500 0.67978000 0.15994300 1.0 O O29 1 0.57137500 0.38441500 0.71536800 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.42862500 0.61558500 0.28463200 1.0 O O32 1 0.28463200 0.42862500 0.61558500 1.0 O O33 1 0.71536800 0.57137500 0.38441500 1.0 O O34 1 0.89388900 0.74648300 0.05502800 1.0 O O35 1 0.84005700 0.84036500 0.32022000 1.0 O O36 1 0.38441500 0.71536800 0.57137500 1.0 O O37 1 0.25351700 0.94497200 0.10611100 1.0 O O38 1 0.50000000 0.50000000 0.00000000 1.0 O O39 1 0.94661300 0.60369200 0.78999300 1.0 O O40 1 0.50000000 0.00000000 0.50000000 1.0 O O41 1 0.32022000 0.84005700 0.84036500 1.0 O O42 1 0.78999300 0.94661300 0.60369200 1.0 O O43 1 0.60369200 0.78999300 0.94661300 1.0 O O44 1 0.05502800 0.89388900 0.74648300 1.0