# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07357700 _cell_length_b 8.09462512 _cell_length_c 12.82471251 _cell_angle_alpha 105.36428508 _cell_angle_beta 99.12133507 _cell_angle_gamma 90.65387461 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 401.97911571 _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 0.25599900 0.85746700 0.98993100 1.0 Mg Mg1 1 0.97155900 0.86535200 0.42056100 1.0 Mg Mg2 1 0.56488200 0.91109700 0.61399300 1.0 Mg Mg3 1 0.46712500 0.13956000 0.40995200 1.0 Mg Mg4 1 0.84757200 0.93909000 0.18459100 1.0 Mg Mg5 1 0.64520900 0.25643200 0.76175100 1.0 Mg Mg6 1 0.58446200 0.54242700 0.66243500 1.0 Mg Mg7 1 0.46231800 0.55851900 0.40287700 1.0 Mg Mg8 1 0.76544600 0.15778100 0.00606200 1.0 Mg Mg9 1 0.74697600 0.57124000 0.97804200 1.0 Si Si10 1 0.21967900 0.31490400 0.91446900 1.0 Si Si11 1 0.31077400 0.43584400 0.10865700 1.0 Si Si12 1 0.01095500 0.37160100 0.48731100 1.0 Si Si13 1 0.03147800 0.67332900 0.56257600 1.0 Si Si14 1 0.17898800 0.01167700 0.80530600 1.0 Si Si15 1 0.34141100 0.18259600 0.17576500 1.0 Si Si16 1 0.87414600 0.57639900 0.21555800 1.0 Si Si17 1 0.06883800 0.16629100 0.59546700 1.0 Si Si18 1 0.15823300 0.53218200 0.81566300 1.0 Si Si19 1 0.38806700 0.78516500 0.27045100 1.0 Si Si20 1 0.90789500 0.30205000 0.28752600 1.0 Si Si21 1 0.69104800 0.84923200 0.82752900 1.0