# CIF generated by HEAS from Alexandria entry agm005504656 data_agm005504656 _cell_length_a 3.51424 _cell_length_b 3.51424 _cell_length_c 12.67772 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 135.59212 _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 0.00000 0.00000 0.50000 1.00000 Zr2 Zr 0.33333 0.66667 0.87149 1.00000 Zr3 Zr 0.66667 0.33333 0.12851 1.00000 C1 C 0.00000 0.00000 0.94300 1.00000 C2 C 0.00000 0.00000 0.05700 1.00000 C3 C 0.33333 0.66667 0.69823 1.00000 C4 C 0.66667 0.33333 0.30177 1.00000 C5 C 0.33333 0.66667 0.59658 1.00000 C6 C 0.66667 0.33333 0.40342 1.00000