data_[Ce4Au8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3127]
_cell_length_b [14.9218]
_cell_length_c [7.1720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce(AuBr3)2]
_chemical_formula_sum '[Ce4 Au8 Br24]'
_cell_volume [1513.6557]
_cell_formula_units_Z [4]
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  4  0.0000  0.0867  0.7500  1.0
  Au  Au1  8  0.1071  0.4992  0.7938  1.0
  Br  Br2  8  0.1100  0.0590  0.1133  1.0
  Br  Br3  8  0.1158  0.3879  0.0482  1.0
  Br  Br4  8  0.1194  0.2057  0.6383  1.0
]