# generated using pymatgen data_Mg6SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02535100 _cell_length_b 5.68018400 _cell_length_c 10.72073500 _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 306.02250517 _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 0.25079800 0.42230000 1.0 Mg Mg1 1 0.00000000 0.74920200 0.42230000 1.0 Mg Mg2 1 0.50000000 0.74253500 0.08199000 1.0 Mg Mg3 1 0.50000000 0.25746500 0.08199000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.32412300 1.0 Mg Mg5 1 0.50000000 0.50000000 0.32285800 1.0 Mg Mg6 1 0.00000000 0.75079800 0.92230000 1.0 Mg Mg7 1 0.00000000 0.24920200 0.92230000 1.0 Mg Mg8 1 0.50000000 0.24253500 0.58199000 1.0 Mg Mg9 1 0.50000000 0.75746500 0.58199000 1.0 Mg Mg10 1 0.50000000 0.50000000 0.82412300 1.0 Mg Mg11 1 0.50000000 0.00000000 0.82285800 1.0 Si Si12 1 0.00000000 0.00000000 0.16987600 1.0 Si Si13 1 0.00000000 0.50000000 0.66987600 1.0 Mo Mo14 1 0.00000000 0.50000000 0.17455900 1.0 Mo Mo15 1 0.00000000 0.00000000 0.67455900 1.0