# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76229000 _cell_length_b 7.46223400 _cell_length_c 15.16293852 _cell_angle_alpha 86.00713684 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 424.66754853 _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 0.50000000 0.94710900 0.98032500 1.0 Mg Mg1 1 0.50000000 0.48217400 0.51225800 1.0 Mg Mg2 1 0.50000000 0.91790900 0.33231900 1.0 Mg Mg3 1 0.00000000 0.16252600 0.61168100 1.0 Mg Mg4 1 0.00000000 0.23482500 0.82537100 1.0 Mg Mg5 1 0.00000000 0.77100000 0.14204200 1.0 Mg Mg6 1 0.00000000 0.25633100 0.38105500 1.0 Mg Mg7 1 0.50000000 0.79468300 0.63316400 1.0 Mg Mg8 1 0.00000000 0.61736900 0.94420800 1.0 Mg Mg9 1 0.00000000 0.22906600 0.05849800 1.0 Si Si10 1 0.50000000 0.51726800 0.07500400 1.0 Si Si11 1 0.50000000 0.33765100 0.93928000 1.0 Si Si12 1 0.50000000 0.07204600 0.48844400 1.0 Si Si13 1 0.00000000 0.83843000 0.48835700 1.0 Si Si14 1 0.00000000 0.09822300 0.22584600 1.0 Si Si15 1 0.50000000 0.79170700 0.82360500 1.0 Si Si16 1 0.00000000 0.49582600 0.66889800 1.0 Si Si17 1 0.00000000 0.61902800 0.37438500 1.0 Si Si18 1 0.50000000 0.58631700 0.27032300 1.0 Si Si19 1 0.50000000 0.49618200 0.77007600 1.0 Si Si20 1 0.00000000 0.93082000 0.75242400 1.0 Si Si21 1 0.50000000 0.29988300 0.20606600 1.0