# generated using pymatgen data_CuSeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18410500 _cell_length_b 8.17326300 _cell_length_c 9.88352900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSeO5 _chemical_formula_sum 'Cu4 Se4 O20' _cell_volume 418.77553686 _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 0.27635900 0.53179100 0.57568500 1.0 Cu Cu1 1 0.72364100 0.03179100 0.92431500 1.0 Cu Cu2 1 0.77635900 0.96820900 0.42431500 1.0 Cu Cu3 1 0.22364100 0.46820900 0.07568500 1.0 Se Se4 1 0.45179200 0.67107900 0.84103400 1.0 Se Se5 1 0.54820800 0.17107900 0.65896600 1.0 Se Se6 1 0.95179200 0.82892100 0.15896600 1.0 Se Se7 1 0.04820800 0.32892100 0.34103400 1.0 O O8 1 0.99290900 0.47814000 0.45960700 1.0 O O9 1 0.00709100 0.97814000 0.04039300 1.0 O O10 1 0.49290900 0.02186000 0.54039300 1.0 O O11 1 0.50709100 0.52186000 0.95960700 1.0 O O12 1 0.31765500 0.31174100 0.62790500 1.0 O O13 1 0.68234500 0.81174100 0.87209500 1.0 O O14 1 0.81765500 0.18825900 0.37209500 1.0 O O15 1 0.18234500 0.68825900 0.12790500 1.0 O O16 1 0.55778500 0.59349100 0.68933800 1.0 O O17 1 0.44221500 0.09349100 0.81066200 1.0 O O18 1 0.05778500 0.90650900 0.31066200 1.0 O O19 1 0.94221500 0.40650900 0.18933800 1.0 O O20 1 0.20149500 0.73885700 0.54065100 1.0 O O21 1 0.79850500 0.23885700 0.95934900 1.0 O O22 1 0.70149500 0.76114300 0.45934900 1.0 O O23 1 0.29850500 0.26114300 0.04065100 1.0 O O24 1 0.14594300 0.71476700 0.82972700 1.0 O O25 1 0.85405700 0.21476700 0.67027300 1.0 O O26 1 0.64594300 0.78523300 0.17027300 1.0 O O27 1 0.35405700 0.28523300 0.32972700 1.0