# generated using pymatgen data_Mg6NbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98007700 _cell_length_b 5.75918100 _cell_length_c 11.06608800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbMo _chemical_formula_sum 'Mg12 Nb2 Mo2' _cell_volume 317.38829403 _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 0.24967600 0.42314800 1.0 Mg Mg1 1 0.50000000 0.75032400 0.42314800 1.0 Mg Mg2 1 0.00000000 0.74659900 0.08625200 1.0 Mg Mg3 1 0.00000000 0.25340100 0.08625200 1.0 Mg Mg4 1 0.00000000 0.00000000 0.31981200 1.0 Mg Mg5 1 0.00000000 0.50000000 0.31571000 1.0 Mg Mg6 1 0.50000000 0.74967600 0.92314800 1.0 Mg Mg7 1 0.50000000 0.25032400 0.92314800 1.0 Mg Mg8 1 0.00000000 0.24659900 0.58625200 1.0 Mg Mg9 1 0.00000000 0.75340100 0.58625200 1.0 Mg Mg10 1 0.00000000 0.50000000 0.81981200 1.0 Mg Mg11 1 0.00000000 0.00000000 0.81571000 1.0 Nb Nb12 1 0.50000000 0.00000000 0.17234200 1.0 Nb Nb13 1 0.50000000 0.50000000 0.67234200 1.0 Mo Mo14 1 0.50000000 0.50000000 0.17333200 1.0 Mo Mo15 1 0.50000000 0.00000000 0.67333200 1.0