# generated using pymatgen data_Mg6Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15183200 _cell_length_b 7.06823800 _cell_length_c 14.03373441 _cell_angle_alpha 86.72749850 _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 411.16431955 _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 0.61370200 0.95331400 1.0 Mg Mg1 1 0.50000000 0.24308900 0.51956000 1.0 Mg Mg2 1 0.00000000 0.77120200 0.28428900 1.0 Mg Mg3 1 0.50000000 0.01313600 0.77278700 1.0 Mg Mg4 1 0.50000000 0.51612500 0.70798700 1.0 Mg Mg5 1 0.50000000 0.47518500 0.20794500 1.0 Mg Mg6 1 0.00000000 0.97856500 0.45713600 1.0 Mg Mg7 1 0.00000000 0.55650800 0.54066500 1.0 Mg Mg8 1 0.00000000 0.33409500 0.83939900 1.0 Mg Mg9 1 0.50000000 0.96014800 0.12644700 1.0 Mg Mg10 1 0.00000000 0.32678900 0.05908600 1.0 Mg Mg11 1 0.00000000 0.95132200 0.95423000 1.0 Si Si12 1 0.50000000 0.81088200 0.56999500 1.0 Si Si13 1 0.50000000 0.61216800 0.40144200 1.0 Si Si14 1 0.00000000 0.69037400 0.09925300 1.0 Si Si15 1 0.00000000 0.71134900 0.81509900 1.0 Si Si16 1 0.00000000 0.23015600 0.65716800 1.0 Si Si17 1 0.00000000 0.37772100 0.36939100 1.0 Si Si18 1 0.00000000 0.17385800 0.23481600 1.0 Si Si19 1 0.00000000 0.87906900 0.66073300 1.0 Si Si20 1 0.50000000 0.20706300 0.95124700 1.0 Si Si21 1 0.50000000 0.06380700 0.32153000 1.0