# generated using pymatgen data_Mg6VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85853400 _cell_length_b 6.09217100 _cell_length_c 10.58982400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6VFe _chemical_formula_sum 'Mg12 V2 Fe2' _cell_volume 313.44841171 _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 0.25064200 0.42054800 1.0 Mg Mg1 1 0.50000000 0.74935800 0.42054800 1.0 Mg Mg2 1 0.00000000 0.75265000 0.08725400 1.0 Mg Mg3 1 0.00000000 0.24735000 0.08725400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32106600 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32540300 1.0 Mg Mg6 1 0.50000000 0.75064200 0.92054800 1.0 Mg Mg7 1 0.50000000 0.24935800 0.92054800 1.0 Mg Mg8 1 0.00000000 0.25265000 0.58725400 1.0 Mg Mg9 1 0.00000000 0.74735000 0.58725400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82106600 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82540300 1.0 V V12 1 0.50000000 0.50000000 0.16997200 1.0 V V13 1 0.50000000 0.00000000 0.66997200 1.0 Fe Fe14 1 0.50000000 0.00000000 0.16795000 1.0 Fe Fe15 1 0.50000000 0.50000000 0.66795000 1.0