# CIF generated by HEAS from Alexandria entry agm002016756
data_agm002016756
_cell_length_a     9.08416
_cell_length_b     4.12096
_cell_length_c     13.81552
_cell_angle_alpha  90.00000
_cell_angle_beta   120.63618
_cell_angle_gamma  90.00000
_cell_volume       445.00072
_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 0.60445 0.00000 0.50958 1.00000
  Sc2 Sc 0.60445 0.50000 0.00958 1.00000
  Sc3 Sc 0.31986 0.00000 0.86980 1.00000
  Sc4 Sc 0.31986 0.50000 0.36980 1.00000
  I1 I 0.01217 0.00000 0.61685 1.00000
  I2 I 0.01217 0.50000 0.11685 1.00000
  I3 I 0.64605 0.00000 0.85449 1.00000
  I4 I 0.64605 0.50000 0.35449 1.00000
  Ba1 Ba 0.92602 0.00000 0.29584 1.00000
  Ba2 Ba 0.92602 0.50000 0.79584 1.00000
  Ba3 Ba 0.34543 0.00000 0.13344 1.00000
  Ba4 Ba 0.34543 0.50000 0.63344 1.00000