# CIF generated by HEAS from Alexandria entry agm002016752
data_agm002016752
_cell_length_a     4.00625
_cell_length_b     4.00625
_cell_length_c     23.77003
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       330.39721
_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
  Ba1 Ba 0.00000 0.00000 0.21415 1.00000
  Ba2 Ba 0.33333 0.66667 0.88081 1.00000
  Ba3 Ba 0.66667 0.33333 0.54748 1.00000
  Sc1 Sc 0.00000 0.00000 0.00473 1.00000
  Sc2 Sc 0.33333 0.66667 0.67140 1.00000
  Sc3 Sc 0.66667 0.33333 0.33807 1.00000
  I1 I 0.00000 0.00000 0.42449 1.00000
  I2 I 0.33333 0.66667 0.09115 1.00000
  I3 I 0.66667 0.33333 0.75782 1.00000