# CIF generated by HEAS from Alexandria entry agm005017576 data_agm005017576 _cell_length_a 3.89109 _cell_length_b 3.89109 _cell_length_c 6.56460 _cell_angle_alpha 107.23966 _cell_angle_beta 107.23966 _cell_angle_gamma 90.00000 _cell_volume 90.24038 _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 Th1 Th 0.00000 0.00000 0.00000 1.00000 Ti1 Ti 0.25000 0.75000 0.50000 1.00000 Be1 Be 0.75000 0.25000 0.50000 1.00000 Ir1 Ir 0.61710 0.61710 0.23419 1.00000 Ir2 Ir 0.38290 0.38290 0.76581 1.00000