# CIF generated by HEAS from Alexandria entry agm002007121
data_agm002007121
_cell_length_a     4.14193
_cell_length_b     4.14193
_cell_length_c     11.12478
_cell_angle_alpha  79.27135
_cell_angle_beta   79.27135
_cell_angle_gamma  60.00000
_cell_volume       161.41928
_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 0.11150 0.11150 0.66550 1.00000
  I2 I 0.88850 0.88850 0.33450 1.00000
  Sc1 Sc 0.50000 0.50000 0.50000 1.00000
  Ba1 Ba 0.00000 0.00000 0.00000 1.00000