# generated using pymatgen
data_Ce9B3C6Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70506779
_cell_length_b   7.99463855
_cell_length_c   31.50217072
_cell_angle_alpha   90.03795912
_cell_angle_beta   90.00021487
_cell_angle_gamma   90.00061349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce9B3C6Br5
_chemical_formula_sum   'Ce18 B6 C12 Br10'
_cell_volume   933.11544316
_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  1  0.24999803  0.91872675  0.59633804  1.0
  Ce  Ce1  1  0.75002430  0.44975109  0.74999077  1.0
  Ce  Ce2  1  0.74999697  0.05519764  0.80225129  1.0
  Ce  Ce3  1  0.74999593  0.80521469  0.01043921  1.0
  Ce  Ce4  1  0.24999591  0.34454583  0.86961715  1.0
  Ce  Ce5  1  0.25000024  0.19391582  0.98986333  1.0
  Ce  Ce6  1  0.75000151  0.08122518  0.40374523  1.0
  Ce  Ce7  1  0.25000139  0.94467098  0.19792751  1.0
  Ce  Ce8  1  0.25000193  0.94536900  0.30186860  1.0
  Ce  Ce9  1  0.25000759  0.19417196  0.51017065  1.0
  Ce  Ce10  1  0.24999994  0.55081114  0.24990430  1.0
  Ce  Ce11  1  0.24998422  0.34492142  0.63061729  1.0
  Ce  Ce12  1  0.74999407  0.05455279  0.69774643  1.0
  Ce  Ce13  1  0.74999760  0.65641992  0.36917545  1.0
  Ce  Ce14  1  0.74999938  0.80475476  0.48958254  1.0
  Ce  Ce15  1  0.24999996  0.91838617  0.90376604  1.0
  Ce  Ce16  1  0.74999597  0.65579656  0.13057239  1.0
  Ce  Ce17  1  0.74999783  0.08114462  0.09643569  1.0
  B  B18  1  0.75000456  0.78725615  0.24988103  1.0
  B  B19  1  0.24999600  0.84746215  0.07821538  1.0
  B  B20  1  0.24999839  0.84719600  0.42177213  1.0
  B  B21  1  0.74999898  0.15224893  0.57804499  1.0
  B  B22  1  0.75000614  0.15206131  0.92203738  1.0
  B  B23  1  0.25002151  0.21332218  0.75001252  1.0
  C  C24  1  0.24999384  0.28127796  0.79524065  1.0
  C  C25  1  0.74999819  0.01569452  0.54338575  1.0
  C  C26  1  0.25000211  0.98327433  0.45651576  1.0
  C  C27  1  0.25000142  0.87351857  0.12640816  1.0
  C  C28  1  0.74999793  0.71873364  0.20472505  1.0
  C  C29  1  0.24999998  0.87424760  0.37349361  1.0
  C  C30  1  0.74999754  0.01568108  0.95659438  1.0
  C  C31  1  0.74998795  0.12674276  0.87379485  1.0
  C  C32  1  0.24999714  0.98375747  0.04360662  1.0
  C  C33  1  0.74999609  0.71918594  0.29502884  1.0
  C  C34  1  0.75000659  0.12706965  0.62632002  1.0
  C  C35  1  0.24999873  0.28085733  0.70477792  1.0
  Br  Br36  1  0.24999910  0.58445978  0.54706375  1.0
  Br  Br37  1  0.74999761  0.67103678  0.65159022  1.0
  Br  Br38  1  0.24999727  0.32914429  0.15162977  1.0
  Br  Br39  1  0.25000103  0.32898472  0.34839196  1.0
  Br  Br40  1  0.74999991  0.22326131  0.25001669  1.0
  Br  Br41  1  0.75000138  0.67106801  0.84845280  1.0
  Br  Br42  1  0.24999884  0.58420573  0.95292887  1.0
  Br  Br43  1  0.75000102  0.41550130  0.04720276  1.0
  Br  Br44  1  0.75000254  0.41558024  0.45283834  1.0
  Br  Br45  1  0.25000548  0.77759395  0.75001793  1.0