# generated using pymatgen data_MnCuBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65244883 _cell_length_b 7.65000577 _cell_length_c 8.44054704 _cell_angle_alpha 89.99894436 _cell_angle_beta 90.00001936 _cell_angle_gamma 90.00002838 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCuBiO5 _chemical_formula_sum 'Mn4 Cu4 Bi4 O20' _cell_volume 364.97994116 _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 Mn Mn0 1 0.26305496 0.50000000 0.49999900 1.0 Mn Mn1 1 0.73694429 1.00000000 1.00000000 1.0 Mn Mn2 1 0.73688754 0.50000000 0.50000100 1.0 Mn Mn3 1 0.26311106 0.00000000 0.00000000 1.0 Cu Cu4 1 0.49997499 0.57579421 0.15346925 1.0 Cu Cu5 1 0.49997499 0.42420379 0.84653175 1.0 Cu Cu6 1 0.50002242 0.07580286 0.34653421 1.0 Cu Cu7 1 0.50002242 0.92419814 0.65346579 1.0 Bi Bi8 1 0.99999599 0.84019064 0.33205905 1.0 Bi Bi9 1 0.99999699 0.15980936 0.66794095 1.0 Bi Bi10 1 0.99999930 0.34018450 0.16793803 1.0 Bi Bi11 1 0.00000030 0.65981650 0.83206197 1.0 O O12 1 0.00003200 0.84487184 0.05570328 1.0 O O13 1 0.00003300 0.15512816 0.94429772 1.0 O O14 1 0.99997012 0.34487829 0.44429633 1.0 O O15 1 0.99997112 0.65512171 0.55570467 1.0 O O16 1 0.50003316 0.85671135 0.07023805 1.0 O O17 1 0.50003216 0.14328765 0.92976295 1.0 O O18 1 0.49997191 0.35671647 0.42975522 1.0 O O19 1 0.49997091 0.64328353 0.57024478 1.0 O O20 1 0.25120262 0.60667868 0.29585321 1.0 O O21 1 0.25120362 0.39332132 0.70414579 1.0 O O22 1 0.74880918 0.10666275 0.20414979 1.0 O O23 1 0.74880818 0.89333725 0.79585021 1.0 O O24 1 0.74873503 0.39330267 0.70413570 1.0 O O25 1 0.74873403 0.60669733 0.29586430 1.0 O O26 1 0.25125860 0.89331490 0.79586176 1.0 O O27 1 0.25125860 0.10668510 0.20413824 1.0 O O28 1 0.28575154 0.49999900 1.00000000 1.0 O O29 1 0.71424369 0.00000000 0.50000000 1.0 O O30 1 0.71421387 0.49999900 0.00000000 1.0 O O31 1 0.28578242 0.00000100 0.50000000 1.0