# generated using pymatgen data_Mg6CuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02131400 _cell_length_b 6.20471500 _cell_length_c 11.46868300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6CuBi _chemical_formula_sum 'Mg12 Cu2 Bi2' _cell_volume 357.31624951 _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 Mg Mg0 1 0.00000000 0.75569200 0.07340100 1.0 Mg Mg1 1 0.00000000 0.24430800 0.07340100 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32644100 1.0 Mg Mg3 1 0.50000000 0.25929200 0.40799100 1.0 Mg Mg4 1 0.50000000 0.74070800 0.40799100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16778100 1.0 Mg Mg6 1 0.00000000 0.25569200 0.57340100 1.0 Mg Mg7 1 0.00000000 0.74430800 0.57340100 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82644100 1.0 Mg Mg9 1 0.50000000 0.75929200 0.90799100 1.0 Mg Mg10 1 0.50000000 0.24070800 0.90799100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66778100 1.0 Cu Cu12 1 0.00000000 0.50000000 0.38026400 1.0 Cu Cu13 1 0.00000000 0.00000000 0.88026400 1.0 Bi Bi14 1 0.50000000 0.50000000 0.16273000 1.0 Bi Bi15 1 0.50000000 0.00000000 0.66273000 1.0