# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50619300 _cell_length_b 6.90253063 _cell_length_c 14.19541718 _cell_angle_alpha 89.45941984 _cell_angle_beta 96.71464358 _cell_angle_gamma 98.26595149 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 433.93989111 _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 0.94579800 0.69937200 0.02756600 1.0 Mg Mg1 1 0.71806300 0.67494200 0.49324300 1.0 Mg Mg2 1 0.13528100 0.47997200 0.34981600 1.0 Mg Mg3 1 0.32824200 0.82016800 0.64506300 1.0 Mg Mg4 1 0.15147700 0.14513600 0.78266400 1.0 Mg Mg5 1 0.52151900 0.49221600 0.16819800 1.0 Mg Mg6 1 0.20293900 0.97730200 0.41863600 1.0 Mg Mg7 1 0.19747200 0.38531000 0.57696200 1.0 Mg Mg8 1 0.62419200 0.93392000 0.88328100 1.0 Mg Mg9 1 0.57162500 0.96803600 0.11384300 1.0 Mg Mg10 1 0.11449400 0.19810400 0.01478000 1.0 Mg Mg11 1 0.74634600 0.39901200 0.86369100 1.0 Si Si12 1 0.79119200 0.04470700 0.55990900 1.0 Si Si13 1 0.65556200 0.29309200 0.44777700 1.0 Si Si14 1 0.12233800 0.16171000 0.21384100 1.0 Si Si15 1 0.33927900 0.55517700 0.94037800 1.0 Si Si16 1 0.79551700 0.57092300 0.67743900 1.0 Si Si17 1 0.62478500 0.79430800 0.30722000 1.0 Si Si18 1 0.06532100 0.78968600 0.21686800 1.0 Si Si19 1 0.64375000 0.21764500 0.69258600 1.0 Si Si20 1 0.06108300 0.74936600 0.81724600 1.0 Si Si21 1 0.64715500 0.15358500 0.29263100 1.0