# generated using pymatgen data_AlVFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87389500 _cell_length_b 2.87389500 _cell_length_c 5.69262400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVFe2 _chemical_formula_sum 'Al1 V1 Fe2' _cell_volume 47.01693269 _cell_formula_units_Z 1 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 Al Al0 1 0.50000000 0.50000000 0.00000000 1.0 V V1 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe2 1 0.00000000 0.00000000 0.74092900 1.0 Fe Fe3 1 0.00000000 0.00000000 0.25907100 1.0