# generated using pymatgen data_Mg6NbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85431200 _cell_length_b 6.22620700 _cell_length_c 10.82276500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbZn _chemical_formula_sum 'Mg12 Nb2 Zn2' _cell_volume 327.10672288 _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 0.74070900 0.08772500 1.0 Mg Mg1 1 0.00000000 0.25929100 0.08772500 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33223300 1.0 Mg Mg3 1 0.50000000 0.25629700 0.41795100 1.0 Mg Mg4 1 0.50000000 0.74370300 0.41795100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16671300 1.0 Mg Mg6 1 0.00000000 0.24070900 0.58772500 1.0 Mg Mg7 1 0.00000000 0.75929100 0.58772500 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83223300 1.0 Mg Mg9 1 0.50000000 0.75629700 0.91795100 1.0 Mg Mg10 1 0.50000000 0.24370300 0.91795100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66671300 1.0 Nb Nb12 1 0.50000000 0.50000000 0.17303000 1.0 Nb Nb13 1 0.50000000 0.00000000 0.67303000 1.0 Zn Zn14 1 0.00000000 0.50000000 0.31667200 1.0 Zn Zn15 1 0.00000000 0.00000000 0.81667200 1.0