# CIF generated by HEAS from Alexandria entry agm001818331 data_agm001818331 _cell_length_a 16.98183 _cell_length_b 16.98183 _cell_length_c 16.98183 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 3769.91839 _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 Br1 Br 0.75000 0.37500 0.12500 1.00000 Br2 Br 0.87500 0.75000 0.12500 1.00000 Br3 Br 0.37500 0.75000 0.62500 1.00000 Br4 Br 0.25000 0.12500 0.37500 1.00000 Br5 Br 0.87500 0.12500 0.25000 1.00000 Br6 Br 0.37500 0.62500 0.25000 1.00000 Br7 Br 0.62500 0.37500 0.75000 1.00000 Br8 Br 0.12500 0.87500 0.75000 1.00000 Br9 Br 0.75000 0.87500 0.62500 1.00000 Br10 Br 0.62500 0.25000 0.37500 1.00000 Br11 Br 0.12500 0.25000 0.87500 1.00000 Br12 Br 0.25000 0.62500 0.87500 1.00000 Cl1 Cl 0.12500 0.37500 0.25000 1.00000 Cl2 Cl 0.00000 0.50000 0.00000 1.00000 Cl3 Cl 0.00000 0.00000 0.00000 1.00000 Cl4 Cl 0.37500 0.25000 0.12500 1.00000 Cl5 Cl 0.50000 0.00000 0.50000 1.00000 Cl6 Cl 0.50000 0.50000 0.00000 1.00000 Cl7 Cl 0.12500 0.75000 0.37500 1.00000 Cl8 Cl 0.75000 0.12500 0.87500 1.00000 Cl9 Cl 0.75000 0.62500 0.37500 1.00000 Cl10 Cl 0.37500 0.12500 0.75000 1.00000 Cl11 Cl 0.62500 0.87500 0.25000 1.00000 Cl12 Cl 0.50000 0.50000 0.50000 1.00000 Cl13 Cl 0.50000 0.00000 0.00000 1.00000 Cl14 Cl 0.00000 0.00000 0.50000 1.00000 Cl15 Cl 0.25000 0.37500 0.62500 1.00000 Cl16 Cl 0.25000 0.87500 0.12500 1.00000 Cl17 Cl 0.00000 0.50000 0.50000 1.00000 Cl18 Cl 0.87500 0.25000 0.62500 1.00000 Cl19 Cl 0.62500 0.75000 0.87500 1.00000 Cl20 Cl 0.87500 0.62500 0.75000 1.00000 K1 K 0.71282 0.12824 0.03672 1.00000 K2 K 0.32390 0.53672 0.40848 1.00000 K3 K 0.96328 0.37176 0.28718 1.00000 K4 K 0.53672 0.21282 0.12824 1.00000 K5 K 0.58458 0.71282 0.67610 1.00000 K6 K 0.96328 0.59152 0.17610 1.00000 K7 K 0.32390 0.78718 0.41542 1.00000 K8 K 0.09152 0.91542 0.12824 1.00000 K9 K 0.59152 0.96328 0.67610 1.00000 K10 K 0.71282 0.58458 0.17610 1.00000 K11 K 0.78718 0.46328 0.37176 1.00000 K12 K 0.82390 0.90848 0.03672 1.00000 K13 K 0.12824 0.71282 0.53672 1.00000 K14 K 0.37176 0.40848 0.08458 1.00000 K15 K 0.08458 0.90848 0.37176 1.00000 K16 K 0.41542 0.12824 0.59152 1.00000 K17 K 0.08458 0.17610 0.21282 1.00000 K18 K 0.46328 0.67610 0.09152 1.00000 K19 K 0.82390 0.91542 0.28718 1.00000 K20 K 0.12824 0.41542 0.09152 1.00000 K21 K 0.37176 0.96328 0.78718 1.00000 K22 K 0.59152 0.62824 0.41542 1.00000 K23 K 0.90848 0.82390 0.53672 1.00000 K24 K 0.78718 0.32390 0.91542 1.00000 K25 K 0.40848 0.37176 0.58458 1.00000 K26 K 0.09152 0.17610 0.46328 1.00000 K27 K 0.21282 0.67610 0.08458 1.00000 K28 K 0.17610 0.08458 0.71282 1.00000 K29 K 0.62824 0.03672 0.21282 1.00000 K30 K 0.87176 0.58458 0.90848 1.00000 K31 K 0.53672 0.32390 0.90848 1.00000 K32 K 0.58458 0.87176 0.40848 1.00000 K33 K 0.91542 0.82390 0.78718 1.00000 K34 K 0.91542 0.09152 0.62824 1.00000 K35 K 0.87176 0.28718 0.46328 1.00000 K36 K 0.17610 0.09152 0.96328 1.00000 K37 K 0.62824 0.59152 0.91542 1.00000 K38 K 0.40848 0.03672 0.32390 1.00000 K39 K 0.28718 0.41542 0.82390 1.00000 K40 K 0.21282 0.53672 0.62824 1.00000 K41 K 0.90848 0.08458 0.87176 1.00000 K42 K 0.67610 0.21282 0.58458 1.00000 K43 K 0.46328 0.78718 0.87176 1.00000 K44 K 0.03672 0.40848 0.82390 1.00000 K45 K 0.41542 0.28718 0.32390 1.00000 K46 K 0.03672 0.62824 0.71282 1.00000 K47 K 0.67610 0.46328 0.59152 1.00000 K48 K 0.28718 0.87176 0.96328 1.00000