# CIF generated by HEAS from Alexandria entry agm005494566 data_agm005494566 _cell_length_a 3.92970 _cell_length_b 4.43795 _cell_length_c 4.67737 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 81.57252 _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 0.42365 0.00000 0.00000 1.00000 Zr2 Zr 0.57635 0.50000 0.50000 1.00000 C1 C 0.77126 0.00000 0.50000 1.00000 C2 C 0.22874 0.50000 0.00000 1.00000 C3 C 0.87956 0.34643 0.00000 1.00000 C4 C 0.87956 0.65357 0.00000 1.00000 C5 C 0.12044 0.84643 0.50000 1.00000 C6 C 0.12044 0.15357 0.50000 1.00000