# CIF generated by HEAS from Alexandria entry agm005111306 data_agm005111306 _cell_length_a 3.44572 _cell_length_b 3.44572 _cell_length_c 9.01193 _cell_angle_alpha 78.97863 _cell_angle_beta 78.97863 _cell_angle_gamma 60.00000 _cell_volume 90.37732 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 Zr 0.07324 0.07324 0.78027 1.00000 Zr2 Zr 0.26036 0.26036 0.21893 1.00000 Sc1 Sc 0.49923 0.49923 0.50231 1.00000 Se1 Se 0.66717 0.66717 0.99850 1.00000