# generated using pymatgen data_Tl2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19483178 _cell_length_b 9.19483259 _cell_length_c 9.19483134 _cell_angle_alpha 109.47121789 _cell_angle_beta 109.47121966 _cell_angle_gamma 109.47122298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2O3 _chemical_formula_sum 'Tl16 O24' _cell_volume 598.42468306 _cell_formula_units_Z 8 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 Tl Tl0 1 0.50000000 0.50000000 0.50000000 1.0 Tl Tl1 1 -0.00000000 0.00000000 0.50000000 1.0 Tl Tl2 1 0.50000000 0.00000000 0.00000000 1.0 Tl Tl3 1 -0.00000000 0.50000000 0.00000000 1.0 Tl Tl4 1 0.25000000 0.21696107 0.96696107 1.0 Tl Tl5 1 0.28303893 0.53303893 0.75000000 1.0 Tl Tl6 1 0.53303893 0.75000000 0.28303893 1.0 Tl Tl7 1 0.21696107 0.96696107 0.25000000 1.0 Tl Tl8 1 0.96696107 0.25000000 0.21696107 1.0 Tl Tl9 1 0.75000000 0.28303893 0.53303893 1.0 Tl Tl10 1 0.75000000 0.78303893 0.03303893 1.0 Tl Tl11 1 0.71696107 0.46696107 0.25000000 1.0 Tl Tl12 1 0.46696107 0.25000000 0.71696107 1.0 Tl Tl13 1 0.78303893 0.03303893 0.75000000 1.0 Tl Tl14 1 0.03303893 0.75000000 0.78303893 1.0 Tl Tl15 1 0.25000000 0.71696107 0.46696107 1.0 O O16 1 0.53752294 0.77157262 0.54268330 1.0 O O17 1 0.99484064 0.95731670 0.72888932 1.0 O O18 1 0.26595032 0.77111068 0.72842738 1.0 O O19 1 0.50515936 0.23404968 0.96247706 1.0 O O20 1 0.95731670 0.72888932 0.99484064 1.0 O O21 1 0.72842738 0.26595032 0.77111068 1.0 O O22 1 0.23404968 0.96247706 0.50515936 1.0 O O23 1 0.54268330 0.53752294 0.77157262 1.0 O O24 1 0.77157262 0.54268330 0.53752294 1.0 O O25 1 0.72888932 0.99484064 0.95731670 1.0 O O26 1 0.77111068 0.72842738 0.26595032 1.0 O O27 1 0.96247706 0.50515936 0.23404968 1.0 O O28 1 0.46247706 0.22842738 0.45731670 1.0 O O29 1 0.00515936 0.04268330 0.27111068 1.0 O O30 1 0.73404968 0.22888932 0.27157262 1.0 O O31 1 0.49484064 0.76595032 0.03752294 1.0 O O32 1 0.04268330 0.27111068 0.00515936 1.0 O O33 1 0.27157262 0.73404968 0.22888932 1.0 O O34 1 0.76595032 0.03752294 0.49484064 1.0 O O35 1 0.45731670 0.46247706 0.22842738 1.0 O O36 1 0.22842738 0.45731670 0.46247706 1.0 O O37 1 0.27111068 0.00515936 0.04268330 1.0 O O38 1 0.22888932 0.27157262 0.73404968 1.0 O O39 1 0.03752294 0.49484064 0.76595032 1.0