# CIF generated by HEAS from Alexandria entry agm002002257 data_agm002002257 _cell_length_a 3.30862 _cell_length_b 3.30862 _cell_length_c 9.06393 _cell_angle_alpha 79.48368 _cell_angle_beta 79.48368 _cell_angle_gamma 60.00000 _cell_volume 83.99908 _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 Mo1 Mo 0.50000 0.50000 0.50000 1.00000 Nd1 Nd 0.00000 0.00000 0.00000 1.00000 S1 S 0.10765 0.10765 0.67705 1.00000 S2 S 0.89235 0.89235 0.32295 1.00000