# CIF generated by HEAS from Alexandria entry agm005052575 data_agm005052575 _cell_length_a 6.18579 _cell_length_b 6.47548 _cell_length_c 8.53723 _cell_angle_alpha 90.00000 _cell_angle_beta 108.47228 _cell_angle_gamma 90.00000 _cell_volume 324.34779 _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 0.70708 0.75000 0.92257 1.00000 Ba2 Ba 0.29292 0.25000 0.07743 1.00000 Nd1 Nd 0.77838 0.75000 0.45324 1.00000 Nd2 Nd 0.22162 0.25000 0.54676 1.00000 B1 B 0.20430 0.75000 0.30681 1.00000 B2 B 0.79570 0.25000 0.69319 1.00000 S1 S 0.99277 0.48962 0.73793 1.00000 S2 S 0.00723 0.98962 0.26207 1.00000 S3 S 0.00723 0.51038 0.26207 1.00000 S4 S 0.99277 0.01038 0.73793 1.00000 S5 S 0.39614 0.75000 0.16321 1.00000 S6 S 0.60386 0.25000 0.83679 1.00000 S7 S 0.37058 0.75000 0.54412 1.00000 S8 S 0.62942 0.25000 0.45588 1.00000