# CIF generated by HEAS from Alexandria entry agm002014007 data_agm002014007 _cell_length_a 3.51291 _cell_length_b 3.51291 _cell_length_c 6.44256 _cell_angle_alpha 74.17897 _cell_angle_beta 74.17897 _cell_angle_gamma 60.00000 _cell_volume 65.35223 _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 H1 H 0.00000 0.00000 0.00000 1.00000 Nb1 Nb 0.09863 0.09863 0.70410 1.00000 Nb2 Nb 0.90137 0.90137 0.29590 1.00000 S1 S 0.50000 0.50000 0.50000 1.00000