# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48001000 _cell_length_b 5.73833966 _cell_length_c 12.76981356 _cell_angle_alpha 89.79909832 _cell_angle_beta 88.47218887 _cell_angle_gamma 87.76413081 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 401.11200235 _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 0.78038400 0.84806900 0.05109300 1.0 Mg Mg1 1 0.77277800 0.34340300 0.44939200 1.0 Mg Mg2 1 0.56102200 0.09411300 0.64989600 1.0 Mg Mg3 1 0.27838200 0.07997700 0.42324500 1.0 Mg Mg4 1 0.26376800 0.10121000 0.07461400 1.0 Mg Mg5 1 0.41458200 0.76646500 0.84741200 1.0 Mg Mg6 1 0.05514400 0.85035000 0.61825700 1.0 Mg Mg7 1 0.24964900 0.57952200 0.38721000 1.0 Mg Mg8 1 0.30823700 0.59812300 0.11560200 1.0 Mg Mg9 1 0.61056700 0.25116700 0.88677100 1.0 Si Si10 1 0.09377700 0.46849100 0.92738300 1.0 Si Si11 1 0.79974200 0.35539300 0.07465900 1.0 Si Si12 1 0.78076900 0.84715600 0.43743600 1.0 Si Si13 1 0.47767800 0.61256700 0.58518000 1.0 Si Si14 1 0.90636800 0.82373800 0.83381100 1.0 Si Si15 1 0.00746600 0.88651100 0.25080500 1.0 Si Si16 1 0.53705600 0.28893900 0.25288000 1.0 Si Si17 1 0.77484900 0.51509100 0.71641500 1.0 Si Si18 1 0.14976300 0.17173200 0.79184400 1.0 Si Si19 1 0.98751200 0.31943000 0.24800400 1.0 Si Si20 1 0.57134300 0.85943500 0.26285000 1.0 Si Si21 1 0.11916500 0.33911600 0.61161100 1.0