# generated using pymatgen data_Mg6VCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87184800 _cell_length_b 6.10858000 _cell_length_c 10.51797900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6VCu _chemical_formula_sum 'Mg12 V2 Cu2' _cell_volume 313.01582554 _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 0.24726400 0.08314800 1.0 Mg Mg1 1 0.50000000 0.75273600 0.08314800 1.0 Mg Mg2 1 0.00000000 0.24991100 0.91178100 1.0 Mg Mg3 1 0.00000000 0.75008900 0.91178100 1.0 Mg Mg4 1 0.00000000 0.50000000 0.17207500 1.0 Mg Mg5 1 0.00000000 0.50000000 0.67176700 1.0 Mg Mg6 1 0.50000000 0.74726400 0.58314800 1.0 Mg Mg7 1 0.50000000 0.25273600 0.58314800 1.0 Mg Mg8 1 0.00000000 0.74991100 0.41178100 1.0 Mg Mg9 1 0.00000000 0.25008900 0.41178100 1.0 Mg Mg10 1 0.00000000 0.00000000 0.67207500 1.0 Mg Mg11 1 0.00000000 0.00000000 0.17176700 1.0 V V12 1 0.50000000 0.50000000 0.83277200 1.0 V V13 1 0.50000000 0.00000000 0.33277200 1.0 Cu Cu14 1 0.50000000 0.50000000 0.33353200 1.0 Cu Cu15 1 0.50000000 0.00000000 0.83353200 1.0