# CIF generated by HEAS from Alexandria entry agm005657938
data_agm005657938
_cell_length_a     8.59669
_cell_length_b     10.35694
_cell_length_c     11.03263
_cell_angle_alpha  107.59557
_cell_angle_beta   90.00000
_cell_angle_gamma  114.52063
_cell_volume       842.92915
_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
  Sc1 Sc 0.74815 0.00000 0.00000 1.00000
  Sc2 Sc 0.25185 0.00000 0.00000 1.00000
  Tl1 Tl 0.28304 0.56608 0.63510 1.00000
  Tl2 Tl 0.31736 0.63472 0.17473 1.00000
  Tl3 Tl 0.00000 0.00000 0.50000 1.00000
  Tl4 Tl 0.68264 0.36528 0.82527 1.00000
  Tl5 Tl 0.71696 0.43392 0.36490 1.00000
  I1 I 0.00509 0.01019 0.18339 1.00000
  I2 I 0.09631 0.68107 0.92082 1.00000
  I3 I 0.58476 0.68107 0.92082 1.00000
  I4 I 0.12826 0.73993 0.44529 1.00000
  I5 I 0.61168 0.73993 0.44529 1.00000
  I6 I 0.49248 0.98496 0.81049 1.00000
  I7 I 0.50752 0.01504 0.18951 1.00000
  I8 I 0.87174 0.26007 0.55471 1.00000
  I9 I 0.38832 0.26007 0.55471 1.00000
  I10 I 0.90369 0.31893 0.07918 1.00000
  I11 I 0.41524 0.31893 0.07918 1.00000
  I12 I 0.99491 0.98981 0.81661 1.00000