data_[Ce2Ag6I4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5377]
_cell_length_b [8.2382]
_cell_length_c [6.7002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAg3(IBr3)2]
_chemical_formula_sum '[Ce2 Ag6 I4 Br12]'
_cell_volume [798.6718]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1722  0.5000  0.2416  1.0
  Br  Br4  8  0.0809  0.2445  0.7518  1.0
  Br  Br5  4  0.1570  0.0000  0.2688  1.0
]