# CIF generated by HEAS from Alexandria entry agm022201136 data_agm022201136 _cell_length_a 11.21465 _cell_length_b 11.21465 _cell_length_c 13.08919 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 93.59209 _cell_volume 1642.97255 _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 K1 K 0.00000 0.00000 0.00000 1.00000 K2 K 0.50000 0.50000 0.50000 1.00000 Zr1 Zr 0.86684 0.86684 0.60048 1.00000 Zr2 Zr 0.45366 0.67104 0.88667 1.00000 Zr3 Zr 0.82896 0.04634 0.38667 1.00000 Zr4 Zr 0.67104 0.45366 0.88667 1.00000 Zr5 Zr 0.36684 0.36684 0.89952 1.00000 Zr6 Zr 0.17104 0.95366 0.61333 1.00000 Zr7 Zr 0.63316 0.63316 0.10048 1.00000 Zr8 Zr 0.13316 0.13316 0.39952 1.00000 Zr9 Zr 0.54634 0.32896 0.11333 1.00000 Zr10 Zr 0.32896 0.54634 0.11333 1.00000 Zr11 Zr 0.95366 0.17104 0.61333 1.00000 Zr12 Zr 0.04634 0.82896 0.38667 1.00000 Fe1 Fe 0.50000 0.50000 0.00000 1.00000 Fe2 Fe 0.00000 0.00000 0.50000 1.00000 I1 I 0.39208 0.14317 0.00857 1.00000 I2 I 0.35683 0.10792 0.50857 1.00000 I3 I 0.96557 0.21094 0.24611 1.00000 I4 I 0.24915 0.75085 0.00000 1.00000 I5 I 0.14873 0.14873 0.76763 1.00000 I6 I 0.85683 0.60792 0.99143 1.00000 I7 I 0.46557 0.71094 0.25389 1.00000 I8 I 0.78906 0.03443 0.75389 1.00000 I9 I 0.10800 0.60800 0.25000 1.00000 I10 I 0.89208 0.64317 0.49143 1.00000 I11 I 0.74915 0.25085 0.50000 1.00000 I12 I 0.64317 0.89208 0.49143 1.00000 I13 I 0.64873 0.64873 0.73237 1.00000 I14 I 0.21094 0.96557 0.24611 1.00000 I15 I 0.85127 0.85127 0.23237 1.00000 I16 I 0.35127 0.35127 0.26763 1.00000 I17 I 0.39200 0.89200 0.75000 1.00000 I18 I 0.14317 0.39208 0.00857 1.00000 I19 I 0.71094 0.46557 0.25389 1.00000 I20 I 0.60800 0.10800 0.25000 1.00000 I21 I 0.75085 0.24915 0.00000 1.00000 I22 I 0.25085 0.74915 0.50000 1.00000 I23 I 0.60792 0.85683 0.99143 1.00000 I24 I 0.28906 0.53443 0.74611 1.00000 I25 I 0.89200 0.39200 0.75000 1.00000 I26 I 0.03443 0.78906 0.75389 1.00000 I27 I 0.53443 0.28906 0.74611 1.00000 I28 I 0.10792 0.35683 0.50857 1.00000