# CIF generated by HEAS from Alexandria entry agm021521232 data_agm021521232 _cell_length_a 6.62764 _cell_length_b 6.62076 _cell_length_c 13.30987 _cell_angle_alpha 88.71519 _cell_angle_beta 88.85695 _cell_angle_gamma 88.80108 _cell_volume 583.65188 _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 0.00000 0.00000 0.50000 1.00000 La1 La 0.00000 0.00000 0.00000 1.00000 Mo1 Mo 0.22646 0.42578 0.78590 1.00000 Mo2 Mo 0.23357 0.41173 0.27773 1.00000 Mo3 Mo 0.55959 0.23761 0.71320 1.00000 Mo4 Mo 0.56716 0.22395 0.20565 1.00000 Mo5 Mo 0.41518 0.57044 0.61911 1.00000 Mo6 Mo 0.42198 0.55854 0.11178 1.00000 Mo7 Mo 0.76643 0.58827 0.72227 1.00000 Mo8 Mo 0.77354 0.57422 0.21410 1.00000 Mo9 Mo 0.43284 0.77605 0.79435 1.00000 Mo10 Mo 0.44041 0.76239 0.28680 1.00000 Mo11 Mo 0.57802 0.44146 0.88822 1.00000 Mo12 Mo 0.58482 0.42956 0.38089 1.00000 S1 S 0.24335 0.25657 0.62936 1.00000 S2 S 0.24929 0.24144 0.11959 1.00000 S3 S 0.75071 0.75856 0.88041 1.00000 S4 S 0.75665 0.74343 0.37064 1.00000 S5 S 0.73363 0.39241 0.56617 1.00000 S6 S 0.74801 0.37414 0.06031 1.00000 S7 S 0.12224 0.74445 0.69577 1.00000 S8 S 0.12985 0.73922 0.18650 1.00000 S9 S 0.37510 0.13186 0.87569 1.00000 S10 S 0.38975 0.11854 0.36479 1.00000 S11 S 0.25199 0.62586 0.93969 1.00000 S12 S 0.26637 0.60759 0.43383 1.00000 S13 S 0.87015 0.26078 0.81350 1.00000 S14 S 0.87776 0.25555 0.30423 1.00000 S15 S 0.61025 0.88146 0.63521 1.00000 S16 S 0.62490 0.86814 0.12431 1.00000