# generated using pymatgen data_Mg6SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77936600 _cell_length_b 6.12133800 _cell_length_c 10.48690400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6SiMo _chemical_formula_sum 'Mg12 Si2 Mo2' _cell_volume 306.80606639 _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 0.00000000 0.26009000 0.08763000 1.0 Mg Mg1 1 0.00000000 0.73991000 0.08763000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83363000 1.0 Mg Mg3 1 0.50000000 0.24583200 0.91743800 1.0 Mg Mg4 1 0.50000000 0.75416800 0.91743800 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66668600 1.0 Mg Mg6 1 0.00000000 0.76009000 0.58763000 1.0 Mg Mg7 1 0.00000000 0.23991000 0.58763000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33363000 1.0 Mg Mg9 1 0.50000000 0.74583200 0.41743800 1.0 Mg Mg10 1 0.50000000 0.25416800 0.41743800 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16668600 1.0 Si Si12 1 0.00000000 0.50000000 0.31072700 1.0 Si Si13 1 0.00000000 0.00000000 0.81072700 1.0 Mo Mo14 1 0.50000000 0.50000000 0.17882000 1.0 Mo Mo15 1 0.50000000 0.00000000 0.67882000 1.0