# generated using pymatgen data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05753300 _cell_length_b 7.08805178 _cell_length_c 13.30444482 _cell_angle_alpha 97.56274318 _cell_angle_beta 97.10062481 _cell_angle_gamma 105.32696299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 538.58340546 _cell_formula_units_Z 4 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 0.76298000 0.91284700 0.92133600 1.0 Mg Mg1 1 0.60935600 0.35472600 0.91631800 1.0 Mg Mg2 1 0.20782100 0.01779200 0.42613500 1.0 Mg Mg3 1 0.96004000 0.41059600 0.13317400 1.0 Mg Mg4 1 0.21907000 0.92054400 0.83175100 1.0 Mg Mg5 1 0.07773700 0.29989700 0.89734800 1.0 Mg Mg6 1 0.64052200 0.85480700 0.39564400 1.0 Mg Mg7 1 0.62473300 0.48788300 0.49097800 1.0 Mg Mg8 1 0.29273400 0.71358100 0.57126700 1.0 Mg Mg9 1 0.36289500 0.28732300 0.67236300 1.0 Mg Mg10 1 0.82084600 0.87528900 0.16839300 1.0 Mg Mg11 1 0.72565200 0.22361900 0.30813400 1.0 Mg Mg12 1 0.92935600 0.46077400 0.70707300 1.0 Mg Mg13 1 0.93818600 0.94238300 0.61041000 1.0 Mg Mg14 1 0.49470300 0.47333000 0.17618900 1.0 Mg Mg15 1 0.30304700 0.84608000 0.20492200 1.0 Si Si16 1 0.62340200 0.13129500 0.55254300 1.0 Si Si17 1 0.24825200 0.55350400 0.34298500 1.0 Si Si18 1 0.16570700 0.11690000 0.07291900 1.0 Si Si19 1 0.00456700 0.67250000 0.99796600 1.0 Si Si20 1 0.36835100 0.59346100 0.81918500 1.0 Si Si21 1 0.67489400 0.08685500 0.74613600 1.0 Si Si22 1 0.89008100 0.63233500 0.32430800 1.0 Si Si23 1 0.20514200 0.20812900 0.26596100 1.0 Si Si24 1 0.66174000 0.70393600 0.71560000 1.0 Si Si25 1 0.00840200 0.29764000 0.51684300 1.0 Si Si26 1 0.41002300 0.68829200 0.01104200 1.0 Si Si27 1 0.55071000 0.09051800 0.06720800 1.0