# CIF generated by HEAS from Alexandria entry agm040569828 data_agm040569828 _cell_length_a 4.80824 _cell_length_b 4.80824 _cell_length_c 5.96819 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 119.49398 _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 Sc1 Sc 0.00000 0.00000 0.50000 1.00000 Sc2 Sc 0.66667 0.33333 0.85555 1.00000 Sc3 Sc 0.33333 0.66667 0.14445 1.00000 Cd1 Cd 0.66667 0.33333 0.34620 1.00000 Cd2 Cd 0.33333 0.66667 0.65380 1.00000 Ir1 Ir 0.00000 0.00000 0.00000 1.00000