# CIF generated by HEAS from Alexandria entry agm016916004 data_agm016916004 _cell_length_a 5.46657 _cell_length_b 10.59277 _cell_length_c 16.87842 _cell_angle_alpha 57.45547 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 823.89209 _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 Sm1 Sm 0.76699 0.50392 0.41354 1.00000 Sm2 Sm 0.74385 0.18530 0.02250 1.00000 Sm3 Sm 0.23301 0.50392 0.91354 1.00000 Sm4 Sm 0.70460 0.50000 0.75000 1.00000 Sm5 Sm 0.74385 0.81470 0.47750 1.00000 Sm6 Sm 0.25615 0.81470 0.97750 1.00000 Sm7 Sm 0.23301 0.49608 0.58646 1.00000 Sm8 Sm 0.29540 0.50000 0.25000 1.00000 Sm9 Sm 0.76699 0.49608 0.08646 1.00000 Sm10 Sm 0.25615 0.18530 0.52250 1.00000 As1 As 0.25982 0.76228 0.64283 1.00000 As2 As 0.74018 0.76228 0.14283 1.00000 As3 As 0.76376 0.25194 0.64667 1.00000 As4 As 0.74018 0.23772 0.35717 1.00000 As5 As 0.23624 0.25194 0.14667 1.00000 As6 As 0.23624 0.74806 0.35333 1.00000 As7 As 0.76376 0.74806 0.85333 1.00000 As8 As 0.25982 0.23772 0.85717 1.00000 Br1 Br 0.75259 0.00248 0.91788 1.00000 Br2 Br 0.75259 0.99752 0.58212 1.00000 Br3 Br 0.74756 0.00000 0.25000 1.00000 Br4 Br 0.25244 0.00000 0.75000 1.00000 Br5 Br 0.24741 0.00248 0.41788 1.00000 Br6 Br 0.24741 0.99752 0.08212 1.00000 O1 O 0.48937 0.66327 0.43878 1.00000 O2 O 0.00133 0.67442 0.94938 1.00000 O3 O 0.99867 0.67442 0.44938 1.00000 O4 O 0.51063 0.66327 0.93878 1.00000 O5 O 0.64838 0.36863 0.23884 1.00000 O6 O 0.16486 0.40632 0.15829 1.00000 O7 O 0.00151 0.32762 0.87624 1.00000 O8 O 0.99849 0.32762 0.37624 1.00000 O9 O 0.99867 0.32558 0.05062 1.00000 O10 O 0.83514 0.40632 0.65829 1.00000 O11 O 0.35162 0.63137 0.76116 1.00000 O12 O 0.99849 0.67238 0.12376 1.00000 O13 O 0.00151 0.67238 0.62376 1.00000 O14 O 0.00133 0.32558 0.55062 1.00000 O15 O 0.51549 0.32076 0.40000 1.00000 O16 O 0.48937 0.33673 0.06122 1.00000 O17 O 0.48451 0.67924 0.60000 1.00000 O18 O 0.64838 0.63137 0.26116 1.00000 O19 O 0.51063 0.33673 0.56122 1.00000 O20 O 0.16486 0.59368 0.34171 1.00000 O21 O 0.35162 0.36863 0.73884 1.00000 O22 O 0.83514 0.59368 0.84171 1.00000 O23 O 0.51549 0.67924 0.10000 1.00000 O24 O 0.48451 0.32076 0.90000 1.00000