# generated using pymatgen data_TeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81268300 _cell_length_b 8.31630700 _cell_length_c 12.11751600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeO3 _chemical_formula_sum 'Te8 O24' _cell_volume 484.98842279 _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 Te Te0 1 0.00105200 0.46709800 0.60938200 1.0 Te Te1 1 0.50105200 0.53290200 0.39061800 1.0 Te Te2 1 0.50105200 0.96709800 0.89061800 1.0 Te Te3 1 0.00105200 0.03290200 0.10938200 1.0 Te Te4 1 0.84610700 0.35856700 0.93708800 1.0 Te Te5 1 0.34610700 0.64143300 0.06291200 1.0 Te Te6 1 0.34610700 0.85856700 0.56291200 1.0 Te Te7 1 0.84610700 0.14143300 0.43708800 1.0 O O8 1 0.78290600 0.47968300 0.74198200 1.0 O O9 1 0.28290600 0.52031700 0.25801800 1.0 O O10 1 0.28290600 0.97968300 0.75801800 1.0 O O11 1 0.78290600 0.02031700 0.24198200 1.0 O O12 1 0.48901100 0.44883400 0.95949400 1.0 O O13 1 0.98901100 0.55116600 0.04050600 1.0 O O14 1 0.98901100 0.94883400 0.54050600 1.0 O O15 1 0.48901100 0.05116600 0.45949400 1.0 O O16 1 0.69211800 0.33506800 0.35570200 1.0 O O17 1 0.19211800 0.66493200 0.64429800 1.0 O O18 1 0.19211800 0.83506800 0.14429800 1.0 O O19 1 0.69211800 0.16493200 0.85570200 1.0 O O20 1 0.23863500 0.40771000 0.48157000 1.0 O O21 1 0.73863500 0.59229000 0.51843000 1.0 O O22 1 0.73863500 0.90771000 0.01843000 1.0 O O23 1 0.23863500 0.09229000 0.98157000 1.0 O O24 1 0.81290200 0.26335100 0.57519300 1.0 O O25 1 0.31290200 0.73664900 0.42480700 1.0 O O26 1 0.31290200 0.76335100 0.92480700 1.0 O O27 1 0.81290200 0.23664900 0.07519300 1.0 O O28 1 0.22126900 0.35658500 0.71855500 1.0 O O29 1 0.72126900 0.64341500 0.28144500 1.0 O O30 1 0.72126900 0.85658500 0.78144500 1.0 O O31 1 0.22126900 0.14341500 0.21855500 1.0