# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01584800 _cell_length_b 8.37107889 _cell_length_c 11.01392140 _cell_angle_alpha 69.74056388 _cell_angle_beta 82.03568687 _cell_angle_gamma 82.96626330 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 428.27595350 _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 0.73368500 0.07153600 0.02084400 1.0 Mg Mg1 1 0.95694800 0.18479100 0.42339900 1.0 Mg Mg2 1 0.67916500 0.93967600 0.34991100 1.0 Mg Mg3 1 0.06147400 0.89658300 0.68621500 1.0 Mg Mg4 1 0.53862000 0.88128000 0.85739300 1.0 Mg Mg5 1 0.17181100 0.17478200 0.16148000 1.0 Mg Mg6 1 0.73035700 0.49757200 0.50898000 1.0 Mg Mg7 1 0.24830800 0.26442200 0.66495400 1.0 Mg Mg8 1 0.38678000 0.47628800 0.90156900 1.0 Mg Mg9 1 0.63992600 0.65811500 0.18478500 1.0 Si Si10 1 0.89512300 0.47373400 0.01710600 1.0 Si Si11 1 0.02607700 0.76679100 0.95053400 1.0 Si Si12 1 0.56144400 0.01340700 0.58829000 1.0 Si Si13 1 0.18525300 0.86080400 0.40772800 1.0 Si Si14 1 0.21585600 0.88913400 0.08850700 1.0 Si Si15 1 0.88680600 0.49746300 0.79123200 1.0 Si Si16 1 0.59569900 0.71209600 0.65439400 1.0 Si Si17 1 0.34541300 0.40597200 0.37634100 1.0 Si Si18 1 0.62342500 0.29671600 0.20601200 1.0 Si Si19 1 0.21461100 0.61292100 0.60228700 1.0 Si Si20 1 0.72214500 0.24856500 0.76756700 1.0 Si Si21 1 0.08107400 0.68098400 0.29410200 1.0