# CIF generated by HEAS from Alexandria entry agm005113646 data_agm005113646 _cell_length_a 3.96884 _cell_length_b 3.96884 _cell_length_c 7.57240 _cell_angle_alpha 74.80769 _cell_angle_beta 74.80769 _cell_angle_gamma 60.00000 _cell_volume 98.45491 _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 Nd1 Nd 0.07700 0.07700 0.76901 1.00000 Nd2 Nd 0.25661 0.25661 0.23016 1.00000 Ni1 Ni 0.66690 0.66690 0.99929 1.00000 S1 S 0.49949 0.49949 0.50154 1.00000