# CIF generated by HEAS from Alexandria entry agm005997553
data_agm005997553
_cell_length_a     8.87564
_cell_length_b     8.87564
_cell_length_c     9.78288
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  113.82395
_cell_volume       704.99860
_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 0.50000 0.25529 1.00000
  Ba2 Ba 0.50000 0.50000 0.00000 1.00000
  Ba3 Ba 0.50000 0.00000 0.74471 1.00000
  Ca1 Ca 0.50000 0.50000 0.50000 1.00000
  I1 I 0.71376 0.28624 0.50000 1.00000
  I2 I 0.73435 0.26565 0.00000 1.00000
  I3 I 0.71614 0.74803 0.73015 1.00000
  I4 I 0.74803 0.71614 0.26985 1.00000
  I5 I 0.25197 0.28386 0.26985 1.00000
  I6 I 0.28386 0.25197 0.73015 1.00000
  I7 I 0.26565 0.73435 0.00000 1.00000
  I8 I 0.28624 0.71376 0.50000 1.00000