# generated using pymatgen data_Mg6VC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53931800 _cell_length_b 5.77571400 _cell_length_c 11.75416300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6VC _chemical_formula_sum 'Mg12 V2 C2' _cell_volume 308.16832436 _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 0.24406400 0.44229400 1.0 Mg Mg1 1 0.50000000 0.75593600 0.44229400 1.0 Mg Mg2 1 0.00000000 0.74069000 0.09432700 1.0 Mg Mg3 1 0.00000000 0.25931000 0.09432700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32770700 1.0 Mg Mg5 1 0.00000000 0.50000000 0.31973900 1.0 Mg Mg6 1 0.50000000 0.74406400 0.94229400 1.0 Mg Mg7 1 0.50000000 0.25593600 0.94229400 1.0 Mg Mg8 1 0.00000000 0.24069000 0.59432700 1.0 Mg Mg9 1 0.00000000 0.75931000 0.59432700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82770700 1.0 Mg Mg11 1 0.00000000 0.00000000 0.81973900 1.0 V V12 1 0.50000000 0.00000000 0.18087600 1.0 V V13 1 0.50000000 0.50000000 0.68087600 1.0 C C14 1 0.50000000 0.50000000 0.09843100 1.0 C C15 1 0.50000000 0.00000000 0.59843100 1.0