# generated using pymatgen data_Ti2Cu3Te3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28558311 _cell_length_b 6.28558311 _cell_length_c 9.27844019 _cell_angle_alpha 86.85677727 _cell_angle_beta 86.85677727 _cell_angle_gamma 56.62816483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Cu3Te3O16 _chemical_formula_sum 'Ti2 Cu3 Te3 O16' _cell_volume 305.54145688 _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 Ti Ti0 1 0.64472900 0.64472900 0.46415800 1.0 Ti Ti1 1 0.31239500 0.31239500 0.00982600 1.0 Cu Cu2 1 0.82876400 0.33068100 0.19823400 1.0 Cu Cu3 1 0.33068100 0.82876400 0.19823400 1.0 Cu Cu4 1 0.17715900 0.17715900 0.71289300 1.0 Te Te5 1 0.82728600 0.82728600 0.21844400 1.0 Te Te6 1 0.67444100 0.17706200 0.71383300 1.0 Te Te7 1 0.17706200 0.67444100 0.71383300 1.0 O O8 1 0.83635600 0.33197400 0.61212600 1.0 O O9 1 0.52953600 0.52953600 0.33749200 1.0 O O10 1 0.67746400 0.67746400 0.11203400 1.0 O O11 1 0.98736600 0.98736600 0.29360900 1.0 O O12 1 0.98366200 0.98366200 0.83310000 1.0 O O13 1 0.33197400 0.83635600 0.61212600 1.0 O O14 1 0.96094200 0.54526500 0.36265300 1.0 O O15 1 0.54526500 0.96094200 0.36265300 1.0 O O16 1 0.16255700 0.16255700 0.08909300 1.0 O O17 1 0.85881900 0.85881900 0.60212300 1.0 O O18 1 0.48953000 0.05717900 0.82588800 1.0 O O19 1 0.05717900 0.48953000 0.82588800 1.0 O O20 1 0.37492300 0.37492300 0.58827900 1.0 O O21 1 0.63367100 0.14109700 0.09466600 1.0 O O22 1 0.48201500 0.48201500 0.84115800 1.0 O O23 1 0.14109700 0.63367100 0.09466600 1.0