# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00013800 _cell_length_b 6.78333500 _cell_length_c 15.48929151 _cell_angle_alpha 84.04380884 _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 418.02178469 _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 0.97776400 0.02822200 1.0 Mg Mg1 1 0.00000000 0.43587400 0.49336000 1.0 Mg Mg2 1 0.50000000 0.65431300 0.35022000 1.0 Mg Mg3 1 0.50000000 0.23692800 0.63961700 1.0 Mg Mg4 1 0.50000000 0.55952100 0.79905600 1.0 Mg Mg5 1 0.00000000 0.70573500 0.16023800 1.0 Mg Mg6 1 0.50000000 0.14190700 0.42484500 1.0 Mg Mg7 1 0.50000000 0.73893000 0.57957600 1.0 Mg Mg8 1 0.00000000 0.77649800 0.91615300 1.0 Mg Mg9 1 0.00000000 0.21695200 0.12801900 1.0 Mg Mg10 1 0.50000000 0.51371700 0.02998000 1.0 Mg Mg11 1 0.00000000 0.28169500 0.93286000 1.0 Si Si12 1 0.00000000 0.04202700 0.56173300 1.0 Si Si13 1 0.00000000 0.82986700 0.44854300 1.0 Si Si14 1 0.50000000 0.97959700 0.21437700 1.0 Si Si15 1 0.50000000 0.99772800 0.80912800 1.0 Si Si16 1 0.00000000 0.52571600 0.66980200 1.0 Si Si17 1 0.00000000 0.37077500 0.31004200 1.0 Si Si18 1 0.50000000 0.40088300 0.21198200 1.0 Si Si19 1 0.00000000 0.86972100 0.72177900 1.0 Si Si20 1 0.00000000 0.23591800 0.76974300 1.0 Si Si21 1 0.00000000 0.00431400 0.30430400 1.0