# generated using pymatgen data_Cu3TeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77517206 _cell_length_b 9.23505500 _cell_length_c 9.14216596 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.45661668 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3TeO8 _chemical_formula_sum 'Cu12 Te4 O32' _cell_volume 643.36595558 _cell_formula_units_Z 4 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 0.63162100 0.58146900 0.61297400 1.0 Cu Cu1 1 0.13162100 0.91853100 0.11297400 1.0 Cu Cu2 1 0.36837900 0.41853100 0.38702600 1.0 Cu Cu3 1 0.86837900 0.08146900 0.88702600 1.0 Cu Cu4 1 0.14892900 0.57770300 0.61400600 1.0 Cu Cu5 1 0.64892900 0.92229700 0.11400600 1.0 Cu Cu6 1 0.85107100 0.42229700 0.38599400 1.0 Cu Cu7 1 0.35107100 0.07770300 0.88599400 1.0 Cu Cu8 1 0.12368800 0.91674700 0.62102900 1.0 Cu Cu9 1 0.62368800 0.58325300 0.12102900 1.0 Cu Cu10 1 0.87631200 0.08325300 0.37897100 1.0 Cu Cu11 1 0.37631200 0.41674700 0.87897100 1.0 Te Te12 1 0.88838200 0.74097300 0.36090900 1.0 Te Te13 1 0.38838200 0.75902700 0.86090900 1.0 Te Te14 1 0.11161800 0.25902700 0.63909100 1.0 Te Te15 1 0.61161800 0.24097300 0.13909100 1.0 O O16 1 0.36028500 0.23818200 0.75588500 1.0 O O17 1 0.86028500 0.26181800 0.25588500 1.0 O O18 1 0.63971500 0.76181800 0.24411500 1.0 O O19 1 0.13971500 0.73818200 0.74411500 1.0 O O20 1 0.36965800 0.20604400 0.04870800 1.0 O O21 1 0.86965800 0.29395600 0.54870800 1.0 O O22 1 0.63034200 0.79395600 0.95129200 1.0 O O23 1 0.13034200 0.70604400 0.45129200 1.0 O O24 1 0.36091100 0.93978800 0.73335900 1.0 O O25 1 0.86091100 0.56021200 0.23335900 1.0 O O26 1 0.63908900 0.06021200 0.26664100 1.0 O O27 1 0.13908900 0.43978800 0.76664100 1.0 O O28 1 0.33128700 0.91007300 0.00636600 1.0 O O29 1 0.83128700 0.58992700 0.50636600 1.0 O O30 1 0.66871300 0.08992700 0.99363400 1.0 O O31 1 0.16871300 0.41007300 0.49363400 1.0 O O32 1 0.87790500 0.90131600 0.49964800 1.0 O O33 1 0.37790500 0.59868400 0.99964800 1.0 O O34 1 0.12209500 0.09868400 0.50035200 1.0 O O35 1 0.62209500 0.40131600 0.00035200 1.0 O O36 1 0.94540800 0.88189200 0.22198400 1.0 O O37 1 0.44540800 0.61810800 0.72198400 1.0 O O38 1 0.05459200 0.11810800 0.77801600 1.0 O O39 1 0.55459200 0.38189200 0.27801600 1.0 O O40 1 0.97593200 0.88540600 0.94424900 1.0 O O41 1 0.47593200 0.61459400 0.44424900 1.0 O O42 1 0.02406800 0.11459400 0.05575100 1.0 O O43 1 0.52406800 0.38540600 0.55575100 1.0 O O44 1 0.28302600 0.94048400 0.27924900 1.0 O O45 1 0.78302600 0.55951600 0.77924900 1.0 O O46 1 0.71697400 0.05951600 0.72075100 1.0 O O47 1 0.21697400 0.44048400 0.22075100 1.0