data_[Ce2Ag6Br4Cl12]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8797]
_cell_length_b [7.8363]
_cell_length_c [6.2549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAg3(BrCl3)2]
_chemical_formula_sum '[Ce2 Ag6 Br4 Cl12]'
_cell_volume [676.9871]
_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
  Ag  Ag1  4  0.2500  0.2500  0.5000  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1696  0.5000  0.2476  1
  Cl  Cl4  8  0.0793  0.2426  0.7529  1
  Cl  Cl5  4  0.1559  0.0000  0.2722  1
]