# CIF generated by HEAS from Alexandria entry agm005677142 data_agm005677142 _cell_length_a 6.58482 _cell_length_b 7.90415 _cell_length_c 7.90415 _cell_angle_alpha 67.25012 _cell_angle_beta 65.38353 _cell_angle_gamma 65.38353 _cell_volume 328.50357 _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 0.17634 0.03847 0.53847 1.00000 Sc2 Sc 0.75328 0.96153 0.46153 1.00000 Sc3 Sc 0.33034 0.75001 0.25001 1.00000 Sc4 Sc 0.33036 0.24999 0.74999 1.00000 Sc5 Sc 0.75337 0.46152 0.96152 1.00000 Sc6 Sc 0.17642 0.53848 0.03848 1.00000 Ti1 Ti 0.00380 0.00000 1.00000 1.00000 Ti2 Ti 0.00380 0.50000 0.50000 1.00000 Ti3 Ti 0.75354 0.37457 0.37446 1.00000 Ti4 Ti 0.50257 0.62543 0.62554 1.00000 Ti5 Ti 0.50257 0.12554 0.12543 1.00000 Ti6 Ti 0.75354 0.87446 0.87457 1.00000 Ir1 Ir 0.75286 0.25001 0.75001 1.00000 Ir2 Ir 0.75289 0.74999 0.24999 1.00000 Ir3 Ir 0.08700 0.16650 0.16646 1.00000 Ir4 Ir 0.41996 0.83350 0.83354 1.00000 Ir5 Ir 0.41996 0.33354 0.33350 1.00000 Ir6 Ir 0.08700 0.66646 0.66650 1.00000