# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00000400 _cell_length_b 6.92483000 _cell_length_c 14.66282060 _cell_angle_alpha 82.99515491 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 403.11899432 _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 0.25000000 0.38630500 0.75763900 1.0 Mg Mg1 1 0.75000000 0.61369500 0.24236100 1.0 Mg Mg2 1 0.25000000 0.73423600 0.37944000 1.0 Mg Mg3 1 0.25000000 0.47134400 0.09027500 1.0 Mg Mg4 1 0.75000000 0.52865600 0.90972500 1.0 Mg Mg5 1 0.75000000 0.26576400 0.62056000 1.0 Mg Mg6 1 0.25000000 0.28442900 0.32775600 1.0 Mg Mg7 1 0.25000000 0.95303600 0.17092600 1.0 Mg Mg8 1 0.75000000 0.04696400 0.82907400 1.0 Mg Mg9 1 0.75000000 0.71557100 0.67224400 1.0 Si Si10 1 0.25000000 0.02449200 0.69215200 1.0 Si Si11 1 0.25000000 0.74595200 0.80661100 1.0 Si Si12 1 0.75000000 0.25404800 0.19338900 1.0 Si Si13 1 0.75000000 0.97550800 0.30784800 1.0 Si Si14 1 0.25000000 0.55182300 0.55454800 1.0 Si Si15 1 0.25000000 0.21180900 0.94174200 1.0 Si Si16 1 0.75000000 0.78819100 0.05825800 1.0 Si Si17 1 0.75000000 0.07696800 0.45988200 1.0 Si Si18 1 0.25000000 0.92303200 0.54011800 1.0 Si Si19 1 0.25000000 0.84389800 0.95737900 1.0 Si Si20 1 0.75000000 0.15610200 0.04262100 1.0 Si Si21 1 0.75000000 0.44817700 0.44545200 1.0