data_global _cell_length_a 4.037529 _cell_length_b 4.037529 _cell_length_c 4.037529 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.0 0.0 0.0 Al 0.5 0.5 0.0 Al 0.5 0.0 0.5 Al 0.0 0.5 0.5