# generated using pymatgen data_CuSeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97742031 _cell_length_b 6.70863593 _cell_length_c 8.83612368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSeO4 _chemical_formula_sum 'Cu4 Se4 O16' _cell_volume 295.05319754 _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 -0.00000000 0.50000000 0.00000000 1.0 Cu Cu1 1 0.50000000 -0.00000000 0.50000000 1.0 Cu Cu2 1 -0.00000000 -0.00000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0 Se Se4 1 0.45282258 0.25000000 0.81622562 1.0 Se Se5 1 0.04717742 0.25000000 0.31622562 1.0 Se Se6 1 0.54717742 0.75000000 0.18377438 1.0 Se Se7 1 0.95282258 0.75000000 0.68377438 1.0 O O8 1 0.73375511 0.25000000 0.37132128 1.0 O O9 1 0.80339836 0.95779701 0.62882863 1.0 O O10 1 0.58157919 0.75000000 0.37572047 1.0 O O11 1 0.30339836 0.04220299 0.87117137 1.0 O O12 1 0.69660164 0.54220299 0.12882863 1.0 O O13 1 0.91842081 0.75000000 0.87572047 1.0 O O14 1 0.41842081 0.25000000 0.62427953 1.0 O O15 1 0.69660164 0.95779701 0.12882863 1.0 O O16 1 0.26624489 0.75000000 0.62867872 1.0 O O17 1 0.80339836 0.54220299 0.62882863 1.0 O O18 1 0.76624489 0.25000000 0.87132128 1.0 O O19 1 0.08157919 0.25000000 0.12427953 1.0 O O20 1 0.30339836 0.45779701 0.87117137 1.0 O O21 1 0.23375511 0.75000000 0.12867872 1.0 O O22 1 0.19660164 0.04220299 0.37117137 1.0 O O23 1 0.19660164 0.45779701 0.37117137 1.0