data_[Ce6Re2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8518]
_cell_length_b [4.1499]
_cell_length_c [11.9591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3ReBr3]
_chemical_formula_sum '[Ce6 Re2 Br6]'
_cell_volume [438.5770]
_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  0.1030  0.2500  0.3847  1
  Ce  Ce1  2  0.1236  0.2500  0.8460  1
  Ce  Ce2  2  0.3242  0.7500  0.6245  1
  Re  Re3  2  0.1138  0.2500  0.6234  1
  Br  Br4  2  0.1258  0.2500  0.1167  1
  Br  Br5  2  0.3694  0.7500  0.8773  1
  Br  Br6  2  0.3914  0.7500  0.3706  1
]