# CIF generated by HEAS from Alexandria entry agm005997337 data_agm005997337 _cell_length_a 3.41226 _cell_length_b 8.10862 _cell_length_c 9.41110 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 102.14633 _cell_volume 254.56360 _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 Pa1 Pa 0.10606 0.21212 0.43738 1.00000 Pa2 Pa 0.89394 0.78788 0.56262 1.00000 Pa3 Pa 0.24921 0.49842 0.75000 1.00000 Pa4 Pa 0.75079 0.50158 0.25000 1.00000 Pa5 Pa 0.10606 0.21212 0.06262 1.00000 Pa6 Pa 0.89394 0.78788 0.93738 1.00000 Fe1 Fe 0.94548 0.89095 0.25000 1.00000 Fe2 Fe 0.05452 0.10905 0.75000 1.00000 B1 B 0.46354 0.92708 0.75000 1.00000 B2 B 0.53646 0.07292 0.25000 1.00000 B3 B 0.47678 0.95357 0.40580 1.00000 B4 B 0.52322 0.04643 0.59420 1.00000 B5 B 0.52322 0.04643 0.90580 1.00000 B6 B 0.47678 0.95357 0.09420 1.00000 B7 B 0.36804 0.73607 0.34597 1.00000 B8 B 0.63196 0.26393 0.65403 1.00000 B9 B 0.27397 0.54794 0.46682 1.00000 B10 B 0.72603 0.45206 0.53318 1.00000 B11 B 0.72603 0.45206 0.96682 1.00000 B12 B 0.27397 0.54794 0.03318 1.00000 B13 B 0.36804 0.73607 0.15403 1.00000 B14 B 0.63196 0.26393 0.84597 1.00000