# generated using pymatgen data_BaTi2TlO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41629400 _cell_length_b 3.45443828 _cell_length_c 26.89741409 _cell_angle_alpha 93.45127456 _cell_angle_beta 91.35127898 _cell_angle_gamma 90.10014713 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2TlO6 _chemical_formula_sum 'Ba2 Ti4 Tl2 O12' _cell_volume 316.76110760 _cell_formula_units_Z 2 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 0.17651400 0.16050600 0.33190100 1.0 Ba Ba1 1 0.80773100 0.83665100 0.67327300 1.0 Ti Ti2 1 0.55985600 0.55542900 0.09146300 1.0 Ti Ti3 1 0.24909300 0.39779800 0.79920000 1.0 Ti Ti4 1 0.60049600 0.60717700 0.21006800 1.0 Ti Ti5 1 0.53848300 0.43506700 0.90506900 1.0 Tl Tl6 1 0.73007800 0.72337600 0.44952500 1.0 Tl Tl7 1 0.27002400 0.27741200 0.55317700 1.0 O O8 1 0.81243100 0.37900600 0.75886300 1.0 O O9 1 0.06558500 0.56835900 0.12135700 1.0 O O10 1 0.23057300 0.22549200 0.45458700 1.0 O O11 1 0.53191700 0.94812600 0.93340100 1.0 O O12 1 0.76748100 0.77294100 0.54395700 1.0 O O13 1 0.58602200 0.09528800 0.18484300 1.0 O O14 1 0.10600700 0.62302100 0.24469000 1.0 O O15 1 0.30302100 0.32051100 0.63939700 1.0 O O16 1 0.40743900 0.90441300 0.81486700 1.0 O O17 1 0.55580000 0.04192500 0.06242400 1.0 O O18 1 0.02689100 0.42531500 0.87208100 1.0 O O19 1 0.68602600 0.67542500 0.36384400 1.0