# generated using pymatgen data_Mg6NbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00661000 _cell_length_b 6.01864900 _cell_length_c 10.87911600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbV _chemical_formula_sum 'Mg12 Nb2 V2' _cell_volume 327.82070998 _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 0.25186800 0.41880600 1.0 Mg Mg1 1 0.50000000 0.74813200 0.41880600 1.0 Mg Mg2 1 0.00000000 0.74851100 0.08884700 1.0 Mg Mg3 1 0.00000000 0.25148900 0.08884700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32488700 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32428500 1.0 Mg Mg6 1 0.50000000 0.75186800 0.91880600 1.0 Mg Mg7 1 0.50000000 0.24813200 0.91880600 1.0 Mg Mg8 1 0.00000000 0.24851100 0.58884700 1.0 Mg Mg9 1 0.00000000 0.75148900 0.58884700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82488700 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82428500 1.0 Nb Nb12 1 0.50000000 0.50000000 0.16815100 1.0 Nb Nb13 1 0.50000000 0.00000000 0.66815100 1.0 V V14 1 0.50000000 0.00000000 0.16736700 1.0 V V15 1 0.50000000 0.50000000 0.66736700 1.0