# generated using pymatgen data_Mg6MnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77287500 _cell_length_b 5.97705000 _cell_length_c 10.88251700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6MnMo _chemical_formula_sum 'Mg12 Mn2 Mo2' _cell_volume 310.45331646 _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 0.76031300 0.58093500 1.0 Mg Mg1 1 0.00000000 0.23968700 0.58093500 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83025900 1.0 Mg Mg3 1 0.50000000 0.24323000 0.92131100 1.0 Mg Mg4 1 0.50000000 0.75677000 0.92131100 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66938100 1.0 Mg Mg6 1 0.00000000 0.26031300 0.08093500 1.0 Mg Mg7 1 0.00000000 0.73968700 0.08093500 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33025900 1.0 Mg Mg9 1 0.50000000 0.74323000 0.42131100 1.0 Mg Mg10 1 0.50000000 0.25677000 0.42131100 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16938100 1.0 Mn Mn12 1 0.00000000 0.00000000 0.80718700 1.0 Mn Mn13 1 0.00000000 0.50000000 0.30718700 1.0 Mo Mo14 1 0.50000000 0.00000000 0.68868000 1.0 Mo Mo15 1 0.50000000 0.50000000 0.18868000 1.0