# generated using pymatgen data_CuTeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01691400 _cell_length_b 7.67781900 _cell_length_c 12.88292400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTeO3 _chemical_formula_sum 'Cu8 Te8 O24' _cell_volume 595.14956238 _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 Cu Cu0 1 0.35001300 0.95537500 0.09526800 1.0 Cu Cu1 1 0.85001300 0.04462500 0.40473200 1.0 Cu Cu2 1 0.64998700 0.45537500 0.90473200 1.0 Cu Cu3 1 0.14998700 0.54462500 0.59526800 1.0 Cu Cu4 1 0.64998700 0.04462500 0.90473200 1.0 Cu Cu5 1 0.14998700 0.95537500 0.59526800 1.0 Cu Cu6 1 0.35001300 0.54462500 0.09526800 1.0 Cu Cu7 1 0.85001300 0.45537500 0.40473200 1.0 Te Te8 1 0.58600400 0.25000000 0.65597300 1.0 Te Te9 1 0.08600400 0.75000000 0.84402700 1.0 Te Te10 1 0.41399600 0.75000000 0.34402700 1.0 Te Te11 1 0.91399600 0.25000000 0.15597300 1.0 Te Te12 1 0.67918300 0.75000000 0.61122500 1.0 Te Te13 1 0.17918300 0.25000000 0.88877500 1.0 Te Te14 1 0.32081700 0.25000000 0.38877500 1.0 Te Te15 1 0.82081700 0.75000000 0.11122500 1.0 O O16 1 0.94339900 0.25000000 0.98994700 1.0 O O17 1 0.44339900 0.75000000 0.51005300 1.0 O O18 1 0.05660100 0.75000000 0.01005300 1.0 O O19 1 0.55660100 0.25000000 0.48994700 1.0 O O20 1 0.57578900 0.25000000 0.81900600 1.0 O O21 1 0.07578900 0.75000000 0.68099400 1.0 O O22 1 0.42421100 0.75000000 0.18099400 1.0 O O23 1 0.92421100 0.25000000 0.31900600 1.0 O O24 1 0.09722900 0.04696000 0.16803300 1.0 O O25 1 0.59722900 0.95304000 0.33196700 1.0 O O26 1 0.90277100 0.54696000 0.83196700 1.0 O O27 1 0.40277100 0.45304000 0.66803300 1.0 O O28 1 0.90277100 0.95304000 0.83196700 1.0 O O29 1 0.40277100 0.04696000 0.66803300 1.0 O O30 1 0.09722900 0.45304000 0.16803300 1.0 O O31 1 0.59722900 0.54696000 0.33196700 1.0 O O32 1 0.65404200 0.56877100 0.04160500 1.0 O O33 1 0.15404200 0.43122900 0.45839500 1.0 O O34 1 0.34595800 0.06877100 0.95839500 1.0 O O35 1 0.84595800 0.93122900 0.54160500 1.0 O O36 1 0.34595800 0.43122900 0.95839500 1.0 O O37 1 0.84595800 0.56877100 0.54160500 1.0 O O38 1 0.65404200 0.93122900 0.04160500 1.0 O O39 1 0.15404200 0.06877100 0.45839500 1.0