# CIF generated by HEAS from Alexandria entry agm006565254 data_agm006565254 _cell_length_a 4.89182 _cell_length_b 4.89182 _cell_length_c 4.73163 _cell_angle_alpha 81.34856 _cell_angle_beta 81.34856 _cell_angle_gamma 120.54490 _cell_volume 92.92018 _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 Cu1 Cu 0.18361 0.81639 0.00000 1.00000 Cu2 Cu 0.33299 0.66701 0.50000 1.00000 Cu3 Cu 0.50000 0.50000 0.00000 1.00000 Cu4 Cu 0.66701 0.33299 0.50000 1.00000 Cu5 Cu 0.81639 0.18361 0.00000 1.00000 H1 H 0.63234 0.91801 0.75033 1.00000 H2 H 0.08199 0.36766 0.24967 1.00000 H3 H 0.76497 0.76497 0.27911 1.00000 H4 H 0.23503 0.23503 0.72089 1.00000 H5 H 0.91801 0.63234 0.75033 1.00000 H6 H 0.36766 0.08199 0.24967 1.00000 Ir1 Ir 0.00000 0.00000 0.50000 1.00000