# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13354400 _cell_length_b 7.04186100 _cell_length_c 14.67967915 _cell_angle_alpha 81.17835179 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6Si5 _chemical_formula_sum 'Mg12 Si10' _cell_volume 422.23911700 _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 0.40885100 0.04725300 1.0 Mg Mg1 1 0.50000000 0.77752600 0.43648200 1.0 Mg Mg2 1 0.00000000 0.31942500 0.70815800 1.0 Mg Mg3 1 0.50000000 0.98067900 0.21470500 1.0 Mg Mg4 1 0.50000000 0.46189200 0.28604200 1.0 Mg Mg5 1 0.50000000 0.58263900 0.80014500 1.0 Mg Mg6 1 0.00000000 0.84392700 0.59475400 1.0 Mg Mg7 1 0.00000000 0.43820200 0.47751100 1.0 Mg Mg8 1 0.00000000 0.65944900 0.15247600 1.0 Mg Mg9 1 0.50000000 0.10663200 0.88134600 1.0 Mg Mg10 1 0.00000000 0.71491800 0.94521400 1.0 Mg Mg11 1 0.00000000 0.07799900 0.04606000 1.0 Si Si12 1 0.50000000 0.16723700 0.42618700 1.0 Si Si13 1 0.50000000 0.23636500 0.57668500 1.0 Si Si14 1 0.00000000 0.36432000 0.89972800 1.0 Si Si15 1 0.00000000 0.27077000 0.19101300 1.0 Si Si16 1 0.00000000 0.73710400 0.32445300 1.0 Si Si17 1 0.50000000 0.56099900 0.60943600 1.0 Si Si18 1 0.00000000 0.90732900 0.78092300 1.0 Si Si19 1 0.00000000 0.08098300 0.34789800 1.0 Si Si20 1 0.50000000 0.81870900 0.04819300 1.0 Si Si21 1 0.50000000 0.98769500 0.70172900 1.0