# CIF generated by HEAS from Alexandria entry agm004875897 data_agm004875897 _cell_length_a 4.28649 _cell_length_b 4.48849 _cell_length_c 6.45714 _cell_angle_alpha 68.23441 _cell_angle_beta 70.61473 _cell_angle_gamma 61.47789 _cell_volume 99.53223 _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 Pa1 Pa 0.50000 0.50000 0.50000 1.00000 Zn1 Zn 0.00000 0.00000 0.00000 1.00000 H1 H 0.93502 0.46250 0.66747 1.00000 H2 H 0.68966 0.48868 0.13200 1.00000 H3 H 0.06498 0.53750 0.33253 1.00000 H4 H 0.31034 0.51132 0.86800 1.00000 H5 H 0.57890 0.03613 0.32690 1.00000 H6 H 0.42110 0.96387 0.67310 1.00000 H7 H 0.05807 0.03613 0.32690 1.00000 H8 H 0.94193 0.96387 0.67310 1.00000 Ir1 Ir 0.29431 0.27308 0.13831 1.00000 Ir2 Ir 0.70569 0.72692 0.86169 1.00000