# CIF generated by HEAS from Alexandria entry agm005159341 data_agm005159341 _cell_length_a 4.29477 _cell_length_b 8.91706 _cell_length_c 13.35959 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 103.93481 _cell_volume 496.57192 _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 0.85909 0.71818 0.80716 1.00000 Ba2 Ba 0.10490 0.20981 0.68800 1.00000 Ba3 Ba 0.14091 0.28182 0.30716 1.00000 Ba4 Ba 0.89510 0.79019 0.18800 1.00000 Nd1 Nd 0.78723 0.57447 0.51692 1.00000 Nd2 Nd 0.21277 0.42553 0.01692 1.00000 Sc1 Sc 0.52716 0.05431 0.95239 1.00000 Sc2 Sc 0.47284 0.94569 0.45239 1.00000 S1 S 0.37564 0.75128 0.99849 1.00000 S2 S 0.67481 0.34962 0.88263 1.00000 S3 S 0.49006 0.98012 0.77753 1.00000 S4 S 0.28285 0.56570 0.65734 1.00000 S5 S 0.95148 0.90295 0.54351 1.00000 S6 S 0.62436 0.24872 0.49849 1.00000 S7 S 0.32519 0.65038 0.38263 1.00000 S8 S 0.50994 0.01988 0.27753 1.00000 S9 S 0.71715 0.43430 0.15734 1.00000 S10 S 0.04852 0.09705 0.04351 1.00000