# CIF generated by HEAS from Alexandria entry agm006238024 data_agm006238024 _cell_length_a 4.79158 _cell_length_b 4.79158 _cell_length_c 4.79158 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 110.01080 _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 Nb1 Nb 0.50000 0.50000 0.50000 1.00000 B1 B 0.23930 0.50000 0.00000 1.00000 B2 B 0.76070 0.50000 0.00000 1.00000 B3 B 0.50000 0.00000 0.23930 1.00000 B4 B 0.50000 0.00000 0.76070 1.00000 B5 B 0.00000 0.23930 0.50000 1.00000 B6 B 0.00000 0.76070 0.50000 1.00000 C1 C 0.27098 0.00000 0.50000 1.00000 C2 C 0.72902 0.00000 0.50000 1.00000 C3 C 0.00000 0.50000 0.27098 1.00000 C4 C 0.00000 0.50000 0.72902 1.00000 C5 C 0.50000 0.27098 0.00000 1.00000 C6 C 0.50000 0.72902 0.00000 1.00000 Br1 Br 0.00000 0.00000 0.00000 1.00000