# CIF generated by HEAS from Alexandria entry agm004013437 data_agm004013437 _cell_length_a 4.67205 _cell_length_b 4.67205 _cell_length_c 3.10787 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 58.75003 _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 Ir1 Ir 0.00000 0.00000 0.83236 1.00000 Sc1 Sc 0.66667 0.33333 0.33360 1.00000 Tl1 Tl 0.33333 0.66667 0.83404 1.00000