# CIF generated by HEAS from Alexandria entry agm004875885 data_agm004875885 _cell_length_a 4.68991 _cell_length_b 4.68991 _cell_length_c 6.09646 _cell_angle_alpha 67.37845 _cell_angle_beta 67.37845 _cell_angle_gamma 60.00000 _cell_volume 104.04553 _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 Nd1 Nd 0.50000 0.50000 0.50000 1.00000 Zn1 Zn 0.00000 0.00000 0.00000 1.00000 H1 H 0.18282 0.18282 0.45155 1.00000 H2 H 0.61716 0.05692 0.26899 1.00000 H3 H 0.81718 0.81718 0.54845 1.00000 H4 H 0.05693 0.61716 0.26899 1.00000 H5 H 0.94307 0.38284 0.73101 1.00000 H6 H 0.05692 0.05693 0.26899 1.00000 H7 H 0.94308 0.94307 0.73101 1.00000 H8 H 0.38284 0.94308 0.73101 1.00000 Ir1 Ir 0.28245 0.28245 0.15264 1.00000 Ir2 Ir 0.71755 0.71755 0.84736 1.00000