# CIF generated by HEAS from Alexandria entry agm022016120 data_agm022016120 _cell_length_a 7.66643 _cell_length_b 9.94144 _cell_length_c 17.60746 _cell_angle_alpha 90.00000 _cell_angle_beta 116.05117 _cell_angle_gamma 90.00000 _cell_volume 1205.61817 _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 0.34655 0.60607 0.36612 1.00000 Ba2 Ba 0.65345 0.10607 0.13388 1.00000 Ba3 Ba 0.65345 0.39393 0.63388 1.00000 Ba4 Ba 0.34655 0.89393 0.86612 1.00000 Hg1 Hg 0.15333 0.23443 0.65528 1.00000 Hg2 Hg 0.84667 0.73443 0.84472 1.00000 Hg3 Hg 0.84667 0.76557 0.34472 1.00000 Hg4 Hg 0.15333 0.26557 0.15528 1.00000 As1 As 0.81973 0.99005 0.67418 1.00000 As2 As 0.18027 0.49005 0.82582 1.00000 As3 As 0.18027 0.00995 0.32582 1.00000 As4 As 0.81973 0.50995 0.17418 1.00000 As5 As 0.77655 0.74547 0.54075 1.00000 As6 As 0.22345 0.24547 0.95925 1.00000 As7 As 0.22345 0.25453 0.45925 1.00000 As8 As 0.77655 0.75453 0.04075 1.00000 As9 As 0.20392 0.66279 0.56116 1.00000 As10 As 0.79608 0.16279 0.93884 1.00000 As11 As 0.79608 0.33721 0.43884 1.00000 As12 As 0.20392 0.83721 0.06116 1.00000 As13 As 0.41731 0.90893 0.67992 1.00000 As14 As 0.58269 0.40893 0.82008 1.00000 As15 As 0.58269 0.09107 0.32008 1.00000 As16 As 0.41731 0.59107 0.17992 1.00000 O1 O 0.94661 0.89383 0.75875 1.00000 O2 O 0.05339 0.39383 0.74125 1.00000 O3 O 0.05339 0.10617 0.24125 1.00000 O4 O 0.94661 0.60617 0.25875 1.00000 O5 O 0.88036 0.15104 0.66787 1.00000 O6 O 0.11964 0.65104 0.83213 1.00000 O7 O 0.11964 0.84896 0.33213 1.00000 O8 O 0.88036 0.34896 0.16787 1.00000 O9 O 0.78489 0.91538 0.57631 1.00000 O10 O 0.21511 0.41538 0.92369 1.00000 O11 O 0.21511 0.08462 0.42369 1.00000 O12 O 0.78489 0.58462 0.07631 1.00000 O13 O 0.63198 0.64449 0.56382 1.00000 O14 O 0.36802 0.14449 0.93618 1.00000 O15 O 0.36802 0.35551 0.43618 1.00000 O16 O 0.63198 0.85551 0.06382 1.00000 O17 O 0.69867 0.76473 0.43576 1.00000 O18 O 0.30133 0.26473 0.06424 1.00000 O19 O 0.30133 0.23527 0.56424 1.00000 O20 O 0.69867 0.73527 0.93576 1.00000 O21 O 0.02016 0.68899 0.59786 1.00000 O22 O 0.97984 0.18899 0.90214 1.00000 O23 O 0.97984 0.31101 0.40214 1.00000 O24 O 0.02016 0.81101 0.09786 1.00000 O25 O 0.30867 0.82929 0.57860 1.00000 O26 O 0.69133 0.32929 0.92140 1.00000 O27 O 0.69133 0.17071 0.42140 1.00000 O28 O 0.30867 0.67071 0.07860 1.00000 O29 O 0.11128 0.64375 0.45518 1.00000 O30 O 0.88872 0.14375 0.04482 1.00000 O31 O 0.88872 0.35625 0.54482 1.00000 O32 O 0.11128 0.85625 0.95518 1.00000 O33 O 0.34295 0.54192 0.62257 1.00000 O34 O 0.65705 0.04192 0.87743 1.00000 O35 O 0.65705 0.45808 0.37743 1.00000 O36 O 0.34295 0.95808 0.12257 1.00000 O37 O 0.25364 0.00283 0.69628 1.00000 O38 O 0.74636 0.50283 0.80372 1.00000 O39 O 0.74636 0.99717 0.30372 1.00000 O40 O 0.25364 0.49717 0.19628 1.00000 O41 O 0.57723 0.01775 0.66105 1.00000 O42 O 0.42277 0.51775 0.83895 1.00000 O43 O 0.42277 0.98225 0.33895 1.00000 O44 O 0.57723 0.48225 0.16105 1.00000 O45 O 0.52117 0.79490 0.75798 1.00000 O46 O 0.47883 0.29490 0.74202 1.00000 O47 O 0.47883 0.20510 0.24202 1.00000 O48 O 0.52117 0.70510 0.25798 1.00000