# generated using pymatgen data_Mg6CuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98486600 _cell_length_b 6.49160900 _cell_length_c 10.91493200 _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 353.20502733 _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 0.50000000 0.24834600 0.58441500 1.0 Mg Mg1 1 0.50000000 0.75165400 0.58441500 1.0 Mg Mg2 1 0.00000000 0.27087500 0.41516000 1.0 Mg Mg3 1 0.00000000 0.72912500 0.41516000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.67115000 1.0 Mg Mg5 1 0.00000000 0.00000000 0.15954200 1.0 Mg Mg6 1 0.50000000 0.74834600 0.08441500 1.0 Mg Mg7 1 0.50000000 0.25165400 0.08441500 1.0 Mg Mg8 1 0.00000000 0.77087500 0.91516000 1.0 Mg Mg9 1 0.00000000 0.22912500 0.91516000 1.0 Mg Mg10 1 0.00000000 0.50000000 0.17115000 1.0 Mg Mg11 1 0.00000000 0.50000000 0.65954200 1.0 Cu Cu12 1 0.50000000 0.00000000 0.83604500 1.0 Cu Cu13 1 0.50000000 0.50000000 0.33604500 1.0 Bi Bi14 1 0.50000000 0.00000000 0.33411800 1.0 Bi Bi15 1 0.50000000 0.50000000 0.83411800 1.0