data_global _cell_length_a 2.99469 _cell_length_b 2.99469 _cell_length_c 8.98408 _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 V 0.5 0.5 0.5 V 0.0 0.0 0.666666667 V 0.0 0.0 0.333333333