# generated using pymatgen data_Sr2Ti2Bi2OF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.41281167 _cell_length_b 11.41281167 _cell_length_c 11.41281167 _cell_angle_alpha 159.17773535 _cell_angle_beta 159.17773535 _cell_angle_gamma 29.61388198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ti2Bi2OF2 _chemical_formula_sum 'Sr2 Ti2 Bi2 O1 F2' _cell_volume 187.73132267 _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 Sr Sr0 1 0.31443700 0.31443700 0.00000000 1.0 Sr Sr1 1 0.68556300 0.68556300 0.00000000 1.0 Ti Ti2 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti3 1 0.00000000 0.50000000 0.50000000 1.0 Bi Bi4 1 0.90270600 0.90270600 0.00000000 1.0 Bi Bi5 1 0.09729400 0.09729400 0.00000000 1.0 O O6 1 0.50000000 0.50000000 0.00000000 1.0 F F7 1 0.25000000 0.75000000 0.50000000 1.0 F F8 1 0.75000000 0.25000000 0.50000000 1.0