# generated using pymatgen data_Ac3Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72534969 _cell_length_b 7.72534969 _cell_length_c 6.15429100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999738 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac3Sc _chemical_formula_sum 'Ac6 Sc2' _cell_volume 318.08630060 _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 0.65671500 0.82835700 0.25000000 1.0 Ac Ac1 1 0.17164300 0.34328500 0.25000000 1.0 Ac Ac2 1 0.34328500 0.17164300 0.75000000 1.0 Ac Ac3 1 0.82835700 0.65671500 0.75000000 1.0 Ac Ac4 1 0.17164300 0.82835700 0.25000000 1.0 Ac Ac5 1 0.82835700 0.17164300 0.75000000 1.0 Sc Sc6 1 0.66666700 0.33333300 0.25000000 1.0 Sc Sc7 1 0.33333300 0.66666700 0.75000000 1.0