# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03172800 _cell_length_b 6.58314500 _cell_length_c 15.17421018 _cell_angle_alpha 84.84392197 _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 401.11586480 _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 0.99492700 0.03711100 1.0 Mg Mg1 1 0.50000000 0.17354800 0.46920700 1.0 Mg Mg2 1 0.00000000 0.10305100 0.32942700 1.0 Mg Mg3 1 0.00000000 0.84468500 0.53370300 1.0 Mg Mg4 1 0.00000000 0.70103700 0.96137500 1.0 Mg Mg5 1 0.00000000 0.29599000 0.12332300 1.0 Mg Mg6 1 0.00000000 0.52087300 0.38733900 1.0 Mg Mg7 1 0.00000000 0.32279800 0.61632000 1.0 Mg Mg8 1 0.00000000 0.23013000 0.88572300 1.0 Mg Mg9 1 0.00000000 0.76318000 0.20614900 1.0 Si Si10 1 0.50000000 0.39262800 0.98962300 1.0 Si Si11 1 0.50000000 0.56687400 0.84044900 1.0 Si Si12 1 0.50000000 0.00422700 0.64638500 1.0 Si Si13 1 0.50000000 0.56542600 0.51125500 1.0 Si Si14 1 0.50000000 0.05985400 0.21069600 1.0 Si Si15 1 0.50000000 0.26501800 0.75120700 1.0 Si Si16 1 0.50000000 0.62226200 0.66590300 1.0 Si Si17 1 0.50000000 0.40959600 0.26319500 1.0 Si Si18 1 0.50000000 0.60313800 0.10996400 1.0 Si Si19 1 0.00000000 0.79347900 0.74757200 1.0 Si Si20 1 0.50000000 0.94209600 0.85319100 1.0 Si Si21 1 0.50000000 0.82545300 0.36438200 1.0