# CIF generated by HEAS from Alexandria entry agm044322018 data_agm044322018 _cell_length_a 6.55487 _cell_length_b 6.55487 _cell_length_c 6.55487 _cell_angle_alpha 57.42401 _cell_angle_beta 57.42401 _cell_angle_gamma 57.42401 _cell_volume 187.34554 _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 0.50000 0.50000 0.00000 1.00000 Sc2 Sc 0.50000 0.00000 0.50000 1.00000 Sc3 Sc 0.00000 0.50000 0.50000 1.00000 Nb1 Nb 0.50000 0.50000 0.50000 1.00000 Nb2 Nb 0.50000 0.00000 0.00000 1.00000 Nb3 Nb 0.00000 0.00000 0.50000 1.00000 Nb4 Nb 0.00000 0.50000 0.00000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 N1 N 0.73844 0.25716 0.73844 1.00000 N2 N 0.73844 0.73844 0.25716 1.00000 N3 N 0.74870 0.74870 0.74870 1.00000 N4 N 0.25716 0.73844 0.73844 1.00000 N5 N 0.74284 0.26156 0.26156 1.00000 N6 N 0.25130 0.25130 0.25130 1.00000 N7 N 0.26156 0.26156 0.74284 1.00000 N8 N 0.26156 0.74284 0.26156 1.00000