data_[Ce2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4128]
_cell_length_b [4.1568]
_cell_length_c [8.5645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeBr3]
_chemical_formula_sum '[Ce2 Br6]'
_cell_volume [278.8398]
_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  0.2969  0.2500  0.6302  1
  Br  Br1  2  0.0965  0.7500  0.3833  1
  Br  Br2  2  0.2711  0.7500  0.8675  1
  Br  Br3  2  0.4223  0.2500  0.3167  1
]