# generated using pymatgen data_Mg6NbSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81729300 _cell_length_b 6.25093500 _cell_length_c 10.61375800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbSi _chemical_formula_sum 'Mg12 Nb2 Si2' _cell_volume 319.60769439 _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 0.25436500 0.08631800 1.0 Mg Mg1 1 0.00000000 0.74563500 0.08631800 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83375100 1.0 Mg Mg3 1 0.50000000 0.24704300 0.91925800 1.0 Mg Mg4 1 0.50000000 0.75295700 0.91925800 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66780600 1.0 Mg Mg6 1 0.00000000 0.75436500 0.58631800 1.0 Mg Mg7 1 0.00000000 0.24563500 0.58631800 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33375100 1.0 Mg Mg9 1 0.50000000 0.74704300 0.41925800 1.0 Mg Mg10 1 0.50000000 0.25295700 0.41925800 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16780600 1.0 Nb Nb12 1 0.50000000 0.50000000 0.17925500 1.0 Nb Nb13 1 0.50000000 0.00000000 0.67925500 1.0 Si Si14 1 0.00000000 0.50000000 0.30803600 1.0 Si Si15 1 0.00000000 0.00000000 0.80803600 1.0