# CIF generated by HEAS from Alexandria entry agm005686607 data_agm005686607 _cell_length_a 3.27555 _cell_length_b 6.10011 _cell_length_c 6.10011 _cell_angle_alpha 89.53842 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 121.88350 _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 0.82364 0.17636 1.00000 Nb2 Nb 0.50000 0.32116 0.32245 1.00000 Nb3 Nb 0.50000 0.67755 0.67884 1.00000 B1 B 0.00000 0.60977 0.39023 1.00000 B2 B 0.00000 0.38731 0.61269 1.00000 B3 B 0.00000 0.89487 0.88927 1.00000 B4 B 0.00000 0.11073 0.10513 1.00000 Mo1 Mo 0.00000 0.49783 0.99968 1.00000 Mo2 Mo 0.00000 0.00032 0.50217 1.00000 Mo3 Mo 0.50000 0.17681 0.82319 1.00000