# CIF generated by HEAS from Alexandria entry agm005990737 data_agm005990737 _cell_length_a 3.09952 _cell_length_b 7.21516 _cell_length_c 8.70659 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 102.40333 _cell_volume 190.16528 _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 0.10694 0.21388 0.44918 1.00000 Ti2 Ti 0.89306 0.78612 0.55082 1.00000 Ti3 Ti 0.24741 0.49482 0.75000 1.00000 Ti4 Ti 0.75259 0.50518 0.25000 1.00000 Ti5 Ti 0.10694 0.21388 0.05082 1.00000 Ti6 Ti 0.89306 0.78612 0.94918 1.00000 Fe1 Fe 0.95269 0.90539 0.25000 1.00000 Fe2 Fe 0.04731 0.09461 0.75000 1.00000 B1 B 0.43338 0.86676 0.75000 1.00000 B2 B 0.56662 0.13324 0.25000 1.00000 B3 B 0.48619 0.97239 0.40581 1.00000 B4 B 0.51381 0.02761 0.59419 1.00000 B5 B 0.51381 0.02761 0.90581 1.00000 B6 B 0.48619 0.97239 0.09419 1.00000 B7 B 0.36765 0.73529 0.34867 1.00000 B8 B 0.63235 0.26471 0.65133 1.00000 B9 B 0.27202 0.54404 0.46729 1.00000 B10 B 0.72798 0.45596 0.53271 1.00000 B11 B 0.72798 0.45596 0.96729 1.00000 B12 B 0.27202 0.54404 0.03271 1.00000 B13 B 0.36765 0.73529 0.15133 1.00000 B14 B 0.63235 0.26471 0.84867 1.00000