# generated using pymatgen data_Mg6NbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81066400 _cell_length_b 6.03828500 _cell_length_c 10.95173300 _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 318.12769543 _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 0.25902200 0.07627200 1.0 Mg Mg1 1 0.00000000 0.74097800 0.07627200 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33181500 1.0 Mg Mg3 1 0.50000000 0.74262400 0.42296100 1.0 Mg Mg4 1 0.50000000 0.25737600 0.42296100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16972400 1.0 Mg Mg6 1 0.00000000 0.75902200 0.57627200 1.0 Mg Mg7 1 0.00000000 0.24097800 0.57627200 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83181500 1.0 Mg Mg9 1 0.50000000 0.24262400 0.92296100 1.0 Mg Mg10 1 0.50000000 0.75737600 0.92296100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66972400 1.0 Nb Nb12 1 0.00000000 0.50000000 0.31021200 1.0 Nb Nb13 1 0.00000000 0.00000000 0.81021200 1.0 Mo Mo14 1 0.50000000 0.50000000 0.18978500 1.0 Mo Mo15 1 0.50000000 0.00000000 0.68978500 1.0