data_[Ce2Ag4Br12]
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
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.7521]
_cell_length_b [7.0132]
_cell_length_c [12.3027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Ce(AgBr3)2]
_chemical_formula_sum '[Ce2 Ag4 Br12]'
_cell_volume [582.5838]
_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  0.0000  0.5000  0.3331  1.0
  Br  Br2  8  0.2413  0.1652  0.3364  1.0
  Br  Br3  4  0.2469  0.6734  0.5000  1.0
]