# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03016000 _cell_length_b 5.97421777 _cell_length_c 14.00632174 _cell_angle_alpha 89.27613106 _cell_angle_beta 99.37686819 _cell_angle_gamma 97.38594875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 411.82302968 _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 0.17235500 0.83714200 0.00986100 1.0 Mg Mg1 1 0.75003200 0.88148100 0.48785400 1.0 Mg Mg2 1 0.16681200 0.37020200 0.36167900 1.0 Mg Mg3 1 0.92757000 0.18419800 0.65345400 1.0 Mg Mg4 1 0.07009000 0.45527000 0.82934100 1.0 Mg Mg5 1 0.74326200 0.89707000 0.14456300 1.0 Mg Mg6 1 0.18302700 0.86894900 0.36336600 1.0 Mg Mg7 1 0.25088400 0.60282100 0.57531200 1.0 Mg Mg8 1 0.62467400 0.63552200 0.92354400 1.0 Mg Mg9 1 0.72965300 0.39898500 0.15052600 1.0 Mg Mg10 1 0.16326300 0.33696200 0.03488800 1.0 Mg Mg11 1 0.59707300 0.13509900 0.92009800 1.0 Si Si12 1 0.33272200 0.08528000 0.55274000 1.0 Si Si13 1 0.65499200 0.39690700 0.48953200 1.0 Si Si14 1 0.28472200 0.07398600 0.19489400 1.0 Si Si15 1 0.44957100 0.92272200 0.73510300 1.0 Si Si16 1 0.80562100 0.67701200 0.67443000 1.0 Si Si17 1 0.66994200 0.61582300 0.32189000 1.0 Si Si18 1 0.27195000 0.64718200 0.19493600 1.0 Si Si19 1 0.49808500 0.36501000 0.73554500 1.0 Si Si20 1 0.00753200 0.92846000 0.81803400 1.0 Si Si21 1 0.64960000 0.18758700 0.33200100 1.0