# generated using pymatgen data_AcAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98068341 _cell_length_b 6.98069108 _cell_length_c 4.65158360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00003833 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcAl3 _chemical_formula_sum 'Ac2 Al6' _cell_volume 196.30332515 _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 Ac Ac0 1 0.33333400 0.66666600 0.75000100 1.0 Ac Ac1 1 0.66666700 0.33333300 0.25000000 1.0 Al Al2 1 0.12916554 0.25833007 0.25000000 1.0 Al Al3 1 0.74166893 0.87083346 0.25000000 1.0 Al Al4 1 0.12916554 0.87083346 0.25000000 1.0 Al Al5 1 0.87083446 0.74166793 0.75000100 1.0 Al Al6 1 0.25833107 0.12916454 0.75000100 1.0 Al Al7 1 0.87083446 0.12916454 0.75000100 1.0