# generated using pymatgen data_Mg6FeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00497700 _cell_length_b 6.32943900 _cell_length_c 10.92970600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6FeBi _chemical_formula_sum 'Mg12 Fe2 Bi2' _cell_volume 346.23884050 _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 0.23666000 0.07705500 1.0 Mg Mg1 1 0.00000000 0.76334000 0.07705500 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83395500 1.0 Mg Mg3 1 0.50000000 0.23777000 0.91263600 1.0 Mg Mg4 1 0.50000000 0.76223000 0.91263600 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66846700 1.0 Mg Mg6 1 0.00000000 0.73666000 0.57705500 1.0 Mg Mg7 1 0.00000000 0.26334000 0.57705500 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33395500 1.0 Mg Mg9 1 0.50000000 0.73777000 0.41263600 1.0 Mg Mg10 1 0.50000000 0.26223000 0.41263600 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16846700 1.0 Fe Fe12 1 0.00000000 0.50000000 0.34742000 1.0 Fe Fe13 1 0.00000000 0.00000000 0.84742000 1.0 Bi Bi14 1 0.50000000 0.50000000 0.17077500 1.0 Bi Bi15 1 0.50000000 0.00000000 0.67077500 1.0