# CIF generated by HEAS from Alexandria entry agm005994577 data_agm005994577 _cell_length_a 6.86494 _cell_length_b 8.61459 _cell_length_c 8.98649 _cell_angle_alpha 68.27085 _cell_angle_beta 67.54491 _cell_angle_gamma 66.51878 _cell_volume 435.32509 _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 Ti1 Ti 0.03122 0.49943 0.98959 1.00000 Ti2 Ti 0.47976 0.99943 0.48959 1.00000 Se1 Se 0.75541 0.60478 0.70062 1.00000 Se2 Se 0.93919 0.10478 0.20062 1.00000 Se3 Se 0.03688 0.91802 0.79438 1.00000 Se4 Se 0.25072 0.41802 0.29438 1.00000 Se5 Se 0.48238 0.23212 0.74700 1.00000 Se6 Se 0.53851 0.73212 0.24700 1.00000 O1 O 0.38068 0.19335 0.31394 1.00000 O2 O 0.11202 0.69335 0.81394 1.00000 O3 O 0.21539 0.33011 0.86615 1.00000 O4 O 0.58835 0.83011 0.36615 1.00000 O5 O 0.18461 0.98055 0.58614 1.00000 O6 O 0.24870 0.48055 0.08614 1.00000 O7 O 0.80746 0.66722 0.13114 1.00000 O8 O 0.39418 0.16722 0.63114 1.00000 O9 O 0.77993 0.04270 0.39880 1.00000 O10 O 0.77858 0.54270 0.89880 1.00000 O11 O 0.57120 0.81439 0.68851 1.00000 O12 O 0.92589 0.31439 0.18851 1.00000 O13 O 0.47388 0.47340 0.27429 1.00000 O14 O 0.77844 0.97340 0.77429 1.00000 O15 O 0.59418 0.39126 0.62653 1.00000 O16 O 0.38802 0.89126 0.12654 1.00000 O17 O 0.83216 0.11018 0.06074 1.00000 O18 O 0.99692 0.61018 0.56074 1.00000