# generated using pymatgen data_Cu2BiAsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29358300 _cell_length_b 7.75145707 _cell_length_c 12.48774511 _cell_angle_alpha 90.01534925 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00002561 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BiAsO6 _chemical_formula_sum 'Cu8 Bi4 As4 O24' _cell_volume 512.40939413 _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 0.75000000 0.21839000 0.87233100 1.0 Cu Cu1 1 0.75000000 0.54495700 0.19407500 1.0 Cu Cu2 1 0.25000000 0.78150600 0.12774200 1.0 Cu Cu3 1 0.75000600 0.28144400 0.37228100 1.0 Cu Cu4 1 0.25000000 0.04487100 0.30590700 1.0 Cu Cu5 1 0.25000000 0.71861900 0.62782800 1.0 Cu Cu6 1 0.25000000 0.45510500 0.80587500 1.0 Cu Cu7 1 0.75000000 0.95506900 0.69407200 1.0 Bi Bi8 1 0.75000000 0.64989400 0.94259300 1.0 Bi Bi9 1 0.25000000 0.14999600 0.55741700 1.0 Bi Bi10 1 0.74999900 0.85008700 0.44259900 1.0 Bi Bi11 1 0.25000000 0.35006700 0.05743000 1.0 As As12 1 0.25000100 0.52458900 0.37271600 1.0 As As13 1 0.75000000 0.47561700 0.62729300 1.0 As As14 1 0.25000000 0.97542300 0.87269500 1.0 As As15 1 0.75000000 0.02450500 0.12726600 1.0 O O16 1 0.25000000 0.75581100 0.87909800 1.0 O O17 1 0.98904200 0.05594300 0.79978100 1.0 O O18 1 0.48925300 0.55594900 0.70017100 1.0 O O19 1 0.49885700 0.38928500 0.91084300 1.0 O O20 1 0.50127000 0.61064800 0.08924400 1.0 O O21 1 0.49902400 0.11072700 0.41090400 1.0 O O22 1 0.25000000 0.74421700 0.37908600 1.0 O O23 1 0.75000000 0.25596600 0.62093000 1.0 O O24 1 0.51095700 0.05594300 0.79978100 1.0 O O25 1 0.74999900 0.56509700 0.50283100 1.0 O O26 1 0.01074500 0.55594900 0.70017100 1.0 O O27 1 0.51111600 0.44397900 0.29974000 1.0 O O28 1 0.98888600 0.44398000 0.29974000 1.0 O O29 1 0.00114300 0.38928500 0.91084300 1.0 O O30 1 0.99872900 0.61064800 0.08924400 1.0 O O31 1 0.48918300 0.94397400 0.20012900 1.0 O O32 1 0.75000000 0.24414700 0.12093300 1.0 O O33 1 0.74999900 0.93483100 0.00282200 1.0 O O34 1 0.50138300 0.88939800 0.58920100 1.0 O O35 1 0.99861700 0.88939800 0.58920100 1.0 O O36 1 0.01081600 0.94397400 0.20012900 1.0 O O37 1 0.24999900 0.43483600 0.49706400 1.0 O O38 1 0.24999900 0.06515400 0.99709300 1.0 O O39 1 0.00097900 0.11072500 0.41090400 1.0