# CIF generated by HEAS from Alexandria entry agm005113404 data_agm005113404 _cell_length_a 3.97284 _cell_length_b 3.97284 _cell_length_c 7.11338 _cell_angle_alpha 73.78446 _cell_angle_beta 73.78446 _cell_angle_gamma 60.00000 _cell_volume 92.03856 _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 Ba1 Ba 0.47088 0.47088 0.58737 1.00000 Nd1 Nd 0.65489 0.65489 0.03532 1.00000 H1 H 0.04429 0.04429 0.86714 1.00000 H2 H 0.32994 0.32994 0.01017 1.00000