# generated using pymatgen data_Ba3Ti3Fe3(BiO9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63716603 _cell_length_b 5.63716603 _cell_length_c 13.88676600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000039 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Ti3Fe3(BiO9)2 _chemical_formula_sum 'Ba3 Ti3 Fe3 Bi2 O18' _cell_volume 382.16719110 _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 0.00000000 0.00000000 0.98856200 1.0 Ba Ba1 1 0.66666700 0.33333300 0.16901600 1.0 Ba Ba2 1 0.00000000 0.00000000 0.49752900 1.0 Ti Ti3 1 0.66666700 0.33333300 0.91053000 1.0 Ti Ti4 1 0.33333300 0.66666700 0.06473800 1.0 Ti Ti5 1 0.00000000 0.00000000 0.73975000 1.0 Fe Fe6 1 0.00000000 0.00000000 0.25550600 1.0 Fe Fe7 1 0.66666700 0.33333300 0.42180000 1.0 Fe Fe8 1 0.33333300 0.66666700 0.58586100 1.0 Bi Bi9 1 0.33333300 0.66666700 0.29681500 1.0 Bi Bi10 1 0.66666700 0.33333300 0.70002200 1.0 O O11 1 0.82542700 0.17457300 0.82736400 1.0 O O12 1 0.50336500 0.49663500 0.50333500 1.0 O O13 1 0.16351200 0.83648800 0.66653100 1.0 O O14 1 0.83029800 0.16970200 0.33694800 1.0 O O15 1 0.50192800 0.49807200 0.00225900 1.0 O O16 1 0.17354700 0.82645300 0.17574300 1.0 O O17 1 0.67297500 0.83648800 0.66653100 1.0 O O18 1 0.33940300 0.16970200 0.33694800 1.0 O O19 1 0.99326900 0.49663500 0.50333500 1.0 O O20 1 0.65290600 0.82645300 0.17574300 1.0 O O21 1 0.34914500 0.17457300 0.82736400 1.0 O O22 1 0.99614500 0.49807200 0.00225900 1.0 O O23 1 0.82542700 0.65085500 0.82736400 1.0 O O24 1 0.50336500 0.00673100 0.50333500 1.0 O O25 1 0.16351200 0.32702500 0.66653100 1.0 O O26 1 0.83029800 0.66059700 0.33694800 1.0 O O27 1 0.50192800 0.00385500 0.00225900 1.0 O O28 1 0.17354700 0.34709400 0.17574300 1.0