# generated using pymatgen data_Mg6NbBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12596100 _cell_length_b 6.41431900 _cell_length_c 10.82023200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbBi _chemical_formula_sum 'Mg12 Nb2 Bi2' _cell_volume 355.76434862 _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 0.24163100 0.08052200 1.0 Mg Mg1 1 0.00000000 0.75836900 0.08052200 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83479500 1.0 Mg Mg3 1 0.50000000 0.24371400 0.91515300 1.0 Mg Mg4 1 0.50000000 0.75628600 0.91515300 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66638600 1.0 Mg Mg6 1 0.00000000 0.74163100 0.58052200 1.0 Mg Mg7 1 0.00000000 0.25836900 0.58052200 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33479500 1.0 Mg Mg9 1 0.50000000 0.74371400 0.41515300 1.0 Mg Mg10 1 0.50000000 0.25628600 0.41515300 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16638600 1.0 Nb Nb12 1 0.00000000 0.50000000 0.33648000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.83648000 1.0 Bi Bi14 1 0.50000000 0.50000000 0.17099000 1.0 Bi Bi15 1 0.50000000 0.00000000 0.67099000 1.0