data_[Ce8B2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2575]
_cell_length_b [4.0003]
_cell_length_c [8.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4BBr5]
_chemical_formula_sum '[Ce8 B2 Br10]'
_cell_volume [601.3366]
_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  4  0.0015  0.0000  0.7896  1
  Ce  Ce1  4  0.1489  0.5000  0.0775  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1656  0.0000  0.3452  1
  Br  Br4  4  0.1715  0.0000  0.8220  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]