# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30234900 _cell_length_b 5.52369925 _cell_length_c 13.60032598 _cell_angle_alpha 90.61970824 _cell_angle_beta 96.86109168 _cell_angle_gamma 96.74315605 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 392.62122136 _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 0.86821100 0.90175400 0.03014200 1.0 Mg Mg1 1 0.41119800 0.17449200 0.31690600 1.0 Mg Mg2 1 0.95067800 0.49048600 0.61514400 1.0 Mg Mg3 1 0.12214600 0.90872900 0.46328700 1.0 Mg Mg4 1 0.64955100 0.53786500 0.18702900 1.0 Mg Mg5 1 0.81495000 0.65410500 0.83000600 1.0 Mg Mg6 1 0.47336600 0.78973600 0.65556300 1.0 Mg Mg7 1 0.94634200 0.39771400 0.38357300 1.0 Mg Mg8 1 0.29433900 0.55306600 0.99725200 1.0 Mg Mg9 1 0.37703400 0.02606300 0.87980300 1.0 Si Si10 1 0.76920400 0.38732100 0.00226900 1.0 Si Si11 1 0.09303600 0.31009500 0.14567700 1.0 Si Si12 1 0.39271500 0.41350200 0.50410700 1.0 Si Si13 1 0.67193700 0.07388300 0.51416200 1.0 Si Si14 1 0.27009900 0.50750700 0.80399500 1.0 Si Si15 1 0.40262200 0.98823200 0.11754800 1.0 Si Si16 1 0.57590000 0.71308900 0.38952100 1.0 Si Si17 1 0.49504600 0.28123100 0.69938300 1.0 Si Si18 1 0.00346200 0.99033600 0.65956400 1.0 Si Si19 1 0.19364200 0.71113300 0.24267400 1.0 Si Si20 1 0.84189200 0.02498700 0.23938500 1.0 Si Si21 1 0.88263200 0.15742000 0.81938300 1.0