# CIF generated by HEAS from Alexandria entry agm001252012 data_agm001252012 _cell_length_a 16.94116 _cell_length_b 16.94116 _cell_length_c 16.94116 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 3742.89647 _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 I1 I 0.75000 0.37500 0.12500 1.00000 I2 I 0.87500 0.75000 0.12500 1.00000 I3 I 0.37500 0.75000 0.62500 1.00000 I4 I 0.25000 0.12500 0.37500 1.00000 I5 I 0.87500 0.12500 0.25000 1.00000 I6 I 0.37500 0.62500 0.25000 1.00000 I7 I 0.62500 0.37500 0.75000 1.00000 I8 I 0.12500 0.87500 0.75000 1.00000 I9 I 0.75000 0.87500 0.62500 1.00000 I10 I 0.62500 0.25000 0.37500 1.00000 I11 I 0.12500 0.25000 0.87500 1.00000 I12 I 0.25000 0.62500 0.87500 1.00000 Br1 Br 0.12500 0.37500 0.25000 1.00000 Br2 Br 0.00000 0.50000 0.00000 1.00000 Br3 Br 0.00000 0.00000 0.00000 1.00000 Br4 Br 0.37500 0.25000 0.12500 1.00000 Br5 Br 0.50000 0.00000 0.50000 1.00000 Br6 Br 0.50000 0.50000 0.00000 1.00000 Br7 Br 0.12500 0.75000 0.37500 1.00000 Br8 Br 0.75000 0.12500 0.87500 1.00000 Br9 Br 0.75000 0.62500 0.37500 1.00000 Br10 Br 0.37500 0.12500 0.75000 1.00000 Br11 Br 0.62500 0.87500 0.25000 1.00000 Br12 Br 0.50000 0.50000 0.50000 1.00000 Br13 Br 0.50000 0.00000 0.00000 1.00000 Br14 Br 0.00000 0.00000 0.50000 1.00000 Br15 Br 0.25000 0.37500 0.62500 1.00000 Br16 Br 0.25000 0.87500 0.12500 1.00000 Br17 Br 0.00000 0.50000 0.50000 1.00000 Br18 Br 0.87500 0.25000 0.62500 1.00000 Br19 Br 0.62500 0.75000 0.87500 1.00000 Br20 Br 0.87500 0.62500 0.75000 1.00000 Tl1 Tl 0.72958 0.14395 0.06522 1.00000 Tl2 Tl 0.33564 0.56522 0.42126 1.00000 Tl3 Tl 0.93478 0.35605 0.27042 1.00000 Tl4 Tl 0.56522 0.22958 0.14395 1.00000 Tl5 Tl 0.58562 0.72958 0.66436 1.00000 Tl6 Tl 0.93478 0.57874 0.16436 1.00000 Tl7 Tl 0.33564 0.77042 0.41438 1.00000 Tl8 Tl 0.07874 0.91438 0.14395 1.00000 Tl9 Tl 0.57874 0.93478 0.66436 1.00000 Tl10 Tl 0.72958 0.58562 0.16436 1.00000 Tl11 Tl 0.77042 0.43478 0.35605 1.00000 Tl12 Tl 0.83564 0.92126 0.06522 1.00000 Tl13 Tl 0.14395 0.72958 0.56522 1.00000 Tl14 Tl 0.35605 0.42126 0.08562 1.00000 Tl15 Tl 0.08562 0.92126 0.35605 1.00000 Tl16 Tl 0.41438 0.14395 0.57874 1.00000 Tl17 Tl 0.08562 0.16436 0.22958 1.00000 Tl18 Tl 0.43478 0.66436 0.07874 1.00000 Tl19 Tl 0.83564 0.91438 0.27042 1.00000 Tl20 Tl 0.14395 0.41438 0.07874 1.00000 Tl21 Tl 0.35605 0.93478 0.77042 1.00000 Tl22 Tl 0.57874 0.64395 0.41438 1.00000 Tl23 Tl 0.92126 0.83564 0.56522 1.00000 Tl24 Tl 0.77042 0.33564 0.91438 1.00000 Tl25 Tl 0.42126 0.35605 0.58562 1.00000 Tl26 Tl 0.07874 0.16436 0.43478 1.00000 Tl27 Tl 0.22958 0.66436 0.08562 1.00000 Tl28 Tl 0.16436 0.08562 0.72958 1.00000 Tl29 Tl 0.64395 0.06522 0.22958 1.00000 Tl30 Tl 0.85605 0.58562 0.92126 1.00000 Tl31 Tl 0.56522 0.33564 0.92126 1.00000 Tl32 Tl 0.58562 0.85605 0.42126 1.00000 Tl33 Tl 0.91438 0.83564 0.77042 1.00000 Tl34 Tl 0.91438 0.07874 0.64395 1.00000 Tl35 Tl 0.85605 0.27042 0.43478 1.00000 Tl36 Tl 0.16436 0.07874 0.93478 1.00000 Tl37 Tl 0.64395 0.57874 0.91438 1.00000 Tl38 Tl 0.42126 0.06522 0.33564 1.00000 Tl39 Tl 0.27042 0.41438 0.83564 1.00000 Tl40 Tl 0.22958 0.56522 0.64395 1.00000 Tl41 Tl 0.92126 0.08562 0.85605 1.00000 Tl42 Tl 0.66436 0.22958 0.58562 1.00000 Tl43 Tl 0.43478 0.77042 0.85605 1.00000 Tl44 Tl 0.06522 0.42126 0.83564 1.00000 Tl45 Tl 0.41438 0.27042 0.33564 1.00000 Tl46 Tl 0.06522 0.64395 0.72958 1.00000 Tl47 Tl 0.66436 0.43478 0.57874 1.00000 Tl48 Tl 0.27042 0.85605 0.93478 1.00000