# CIF generated by HEAS from Alexandria entry agm005778972 data_agm005778972 _cell_length_a 3.86094 _cell_length_b 7.29121 _cell_length_c 7.13290 _cell_angle_alpha 85.34115 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 200.13418 _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 0.50000 0.00000 0.50000 1.00000 Ni1 Ni 0.00000 0.00000 0.00000 1.00000 I1 I 0.00000 0.20218 0.31796 1.00000 I2 I 0.50000 0.22123 0.84624 1.00000 I3 I 0.50000 0.77877 0.15376 1.00000 I4 I 0.00000 0.79782 0.68204 1.00000