# CIF generated by HEAS from Alexandria entry agm002085331 data_agm002085331 _cell_length_a 4.09113 _cell_length_b 3.52210 _cell_length_c 6.90337 _cell_angle_alpha 90.00000 _cell_angle_beta 97.42537 _cell_angle_gamma 90.00000 _cell_volume 98.63890 _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 H1 H 0.70448 0.00000 0.88567 1.00000 H2 H 0.32219 0.50000 0.41836 1.00000 Ir1 Ir 0.49204 0.50000 0.22040 1.00000 Ir2 Ir 0.96179 0.00000 0.08316 1.00000 Se1 Se 0.19472 0.50000 0.89645 1.00000 Se2 Se 0.80634 0.00000 0.40715 1.00000