# CIF generated by HEAS from Alexandria entry agm021244366 data_agm021244366 _cell_length_a 5.29457 _cell_length_b 5.29457 _cell_length_c 5.31975 _cell_angle_alpha 80.37693 _cell_angle_beta 80.37693 _cell_angle_gamma 119.91706 _cell_volume 121.83583 _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 0.33321 0.66679 0.00000 1.00000 Sc2 Sc 0.66679 0.33321 0.00000 1.00000 Ti1 Ti 0.50000 0.50000 0.50000 1.00000 Ti2 Ti 0.00000 0.00000 0.00000 1.00000 Ti3 Ti 0.16742 0.83258 0.50000 1.00000 Ti4 Ti 0.83258 0.16742 0.50000 1.00000 N1 N 0.24117 0.24117 0.26079 1.00000 N2 N 0.75883 0.75883 0.73921 1.00000 N3 N 0.91375 0.58629 0.25750 1.00000 N4 N 0.58629 0.91375 0.25750 1.00000 N5 N 0.41371 0.08625 0.74250 1.00000 N6 N 0.08625 0.41371 0.74250 1.00000