# generated using pymatgen data_Tb2TiCuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65654800 _cell_length_b 3.65654796 _cell_length_c 11.34544500 _cell_angle_alpha 90.00002392 _cell_angle_beta 90.00005659 _cell_angle_gamma 60.00098958 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2TiCuO6 _chemical_formula_sum 'Tb2 Ti1 Cu1 O6' _cell_volume 131.37086211 _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 Tb Tb0 1 0.00000700 0.00000600 0.27215000 1.0 Tb Tb1 1 0.99999600 0.99999600 0.72374300 1.0 Ti Ti2 1 0.33333200 0.33333000 0.99835800 1.0 Cu Cu3 1 0.66664800 0.66664800 0.49790600 1.0 O O4 1 0.33334000 0.33334100 0.16215500 1.0 O O5 1 0.66665900 0.66666000 0.66664900 1.0 O O6 1 0.00000000 0.00000200 0.99796000 1.0 O O7 1 0.00001500 0.00001400 0.49804000 1.0 O O8 1 0.66667000 0.66667100 0.32952000 1.0 O O9 1 0.33333200 0.33333200 0.83351800 1.0