# CIF generated by HEAS from Alexandria entry agm005406809 data_agm005406809 _cell_length_a 4.03611 _cell_length_b 4.19162 _cell_length_c 7.32356 _cell_angle_alpha 77.22653 _cell_angle_beta 77.64171 _cell_angle_gamma 67.98869 _cell_volume 110.84010 _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 0.99292 0.46728 0.48765 1.00000 Cu2 Cu 0.57316 0.17157 0.72878 1.00000 Cu3 Cu 0.25388 0.81150 0.62822 1.00000 S1 S 0.74576 0.59521 0.78351 1.00000 I1 I 0.19588 0.01457 0.26457 1.00000