data_[Ba1Ce1Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6432]
_cell_length_b [8.0800]
_cell_length_c [9.8921]
_cell_angle_alpha [109.4976]
_cell_angle_beta [90.0907]
_cell_angle_gamma [99.5810]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCe(AgI4)2]
_chemical_formula_sum '[Ba1 Ce1 Ag2 I8]'
_cell_volume [566.7664]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4716  0.6514  0.6730  1.0
  I  I3  2  0.1122  0.7500  0.7126  1.0
  I  I4  2  0.1264  0.7748  0.1585  1.0
  I  I5  2  0.3616  0.2358  0.0493  1.0
  I  I6  2  0.4181  0.2638  0.5727  1.0
]