# CIF generated by HEAS from Alexandria entry agm004945839 data_agm004945839 _cell_length_a 10.04671 _cell_length_b 10.04671 _cell_length_c 7.49353 _cell_angle_alpha 98.12818 _cell_angle_beta 98.12818 _cell_angle_gamma 87.42911 _cell_volume 741.01081 _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 0.18828 0.81172 0.25000 1.00000 K2 K 0.81172 0.18828 0.75000 1.00000 Tl1 Tl 0.59908 0.40092 0.25000 1.00000 Tl2 Tl 0.40092 0.59908 0.75000 1.00000 Fe1 Fe 0.29410 0.12407 0.76578 1.00000 Fe2 Fe 0.87593 0.70590 0.73422 1.00000 Fe3 Fe 0.70590 0.87593 0.23422 1.00000 Fe4 Fe 0.12407 0.29410 0.26578 1.00000 Br1 Br 0.90503 0.36903 0.14259 1.00000 Br2 Br 0.63097 0.09497 0.35741 1.00000 Br3 Br 0.09497 0.63097 0.85741 1.00000 Br4 Br 0.36903 0.90503 0.64259 1.00000 Br5 Br 0.19595 0.10285 0.04873 1.00000 Br6 Br 0.89715 0.80405 0.45127 1.00000 Br7 Br 0.80405 0.89715 0.95127 1.00000 Br8 Br 0.10285 0.19595 0.54873 1.00000 Br9 Br 0.27955 0.47624 0.32474 1.00000 Br10 Br 0.52376 0.72045 0.17526 1.00000 Br11 Br 0.72045 0.52376 0.67526 1.00000 Br12 Br 0.47624 0.27955 0.82474 1.00000