# generated using pymatgen data_Mn3(CuBi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52677864 _cell_length_b 8.52677864 _cell_length_c 8.52677864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(CuBi)4 _chemical_formula_sum 'Mn6 Cu8 Bi8' _cell_volume 438.36913495 _cell_formula_units_Z 2 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 0.50000000 0.50000000 0.00000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn3 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn4 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu6 1 0.89005400 0.89005400 0.89005400 1.0 Cu Cu7 1 0.67016300 0.10994600 0.10994600 1.0 Cu Cu8 1 0.10994600 0.10994600 0.10994600 1.0 Cu Cu9 1 0.32983700 0.89005400 0.89005400 1.0 Cu Cu10 1 0.89005400 0.32983700 0.89005400 1.0 Cu Cu11 1 0.89005400 0.89005400 0.32983700 1.0 Cu Cu12 1 0.10994600 0.67016300 0.10994600 1.0 Cu Cu13 1 0.10994600 0.10994600 0.67016300 1.0 Bi Bi14 1 0.71518200 0.28481800 0.71518200 1.0 Bi Bi15 1 0.28481800 0.28481800 0.71518200 1.0 Bi Bi16 1 0.71518200 0.71518200 0.28481800 1.0 Bi Bi17 1 0.71518200 0.28481800 0.28481800 1.0 Bi Bi18 1 0.28481800 0.71518200 0.71518200 1.0 Bi Bi19 1 0.28481800 0.71518200 0.28481800 1.0 Bi Bi20 1 0.75000000 0.75000000 0.75000000 1.0 Bi Bi21 1 0.25000000 0.25000000 0.25000000 1.0