# CIF generated by HEAS from Alexandria entry agm022697211 data_agm022697211 _cell_length_a 8.68759 _cell_length_b 8.68759 _cell_length_c 8.91466 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 582.68486 _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 0.00000 0.00000 0.00000 1.00000 Sc3 Sc 0.54114 0.45886 0.25000 1.00000 Sc4 Sc 0.54114 0.08227 0.25000 1.00000 Sc5 Sc 0.91773 0.45886 0.25000 1.00000 Sc6 Sc 0.45886 0.54114 0.75000 1.00000 Sc7 Sc 0.45886 0.91773 0.75000 1.00000 Sc8 Sc 0.08227 0.54114 0.75000 1.00000 Sc9 Sc 0.20961 0.79039 0.43869 1.00000 Sc10 Sc 0.20961 0.41921 0.43869 1.00000 Sc11 Sc 0.58079 0.79039 0.43869 1.00000 Sc12 Sc 0.79039 0.20961 0.56131 1.00000 Sc13 Sc 0.79039 0.58079 0.56131 1.00000 Sc14 Sc 0.41921 0.20961 0.56131 1.00000 Sc15 Sc 0.79039 0.20961 0.93869 1.00000 Sc16 Sc 0.79039 0.58079 0.93869 1.00000 Sc17 Sc 0.41921 0.20961 0.93869 1.00000 Sc18 Sc 0.20961 0.79039 0.06131 1.00000 Sc19 Sc 0.20961 0.41921 0.06131 1.00000 Sc20 Sc 0.58079 0.79039 0.06131 1.00000 Zn1 Zn 0.88815 0.11185 0.25000 1.00000 Zn2 Zn 0.88815 0.77631 0.25000 1.00000 Zn3 Zn 0.22369 0.11185 0.25000 1.00000 Zn4 Zn 0.11185 0.88815 0.75000 1.00000 Zn5 Zn 0.11185 0.22369 0.75000 1.00000 Zn6 Zn 0.77631 0.88815 0.75000 1.00000 Fe1 Fe 0.33333 0.66667 0.25000 1.00000 Fe2 Fe 0.66667 0.33333 0.75000 1.00000