# generated using pymatgen
data_Ce3Y(BRu)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46731347
_cell_length_b   7.46731308
_cell_length_c   9.21239392
_cell_angle_alpha   114.00797506
_cell_angle_beta   114.00797424
_cell_angle_gamma   89.77697931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Y(BRu)16
_chemical_formula_sum   'Ce3 Y1 B16 Ru16'
_cell_volume   420.53540531
_cell_formula_units_Z   1
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  0.50000000  0.00000000  0.00000000  1.0
  Ce  Ce1  1  0.00000000  0.50000000  0.00000000  1.0
  Ce  Ce2  1  0.25000000  0.25000000  0.49999900  1.0
  Y  Y3  1  0.74999900  0.74999900  0.49999900  1.0
  B  B4  1  0.24945614  0.22401359  0.16389733  1.0
  B  B5  1  0.74920667  0.43979019  0.16595234  1.0
  B  B6  1  0.41674667  0.72616215  0.16595234  1.0
  B  B7  1  0.91444119  0.93988374  0.16389733  1.0
  B  B8  1  0.83460646  0.02508980  0.33617305  1.0
  B  B9  1  0.50156659  0.31108326  0.33617305  1.0
  B  B10  1  0.00106433  0.52628504  0.33808154  1.0
  B  B11  1  0.33701621  0.81179549  0.33808154  1.0
  B  B12  1  0.68820451  0.16298379  0.66191946  1.0
  B  B13  1  0.97371396  0.49893567  0.66191946  1.0
  B  B14  1  0.47491120  0.66539454  0.66382795  1.0
  B  B15  1  0.18891674  0.99843441  0.66382795  1.0
  B  B16  1  0.77383785  0.08325333  0.83404766  1.0
  B  B17  1  0.27598641  0.25054386  0.83610267  1.0
  B  B18  1  0.56011626  0.58555881  0.83610267  1.0
  B  B19  1  0.06020981  0.75079433  0.83404766  1.0
  Ru  Ru20  1  0.94676869  0.21072505  0.12182922  1.0
  Ru  Ru21  1  0.44685374  0.41224816  0.12233612  1.0
  Ru  Ru22  1  0.67548038  0.71008796  0.12233612  1.0
  Ru  Ru23  1  0.17505952  0.91110417  0.12182922  1.0
  Ru  Ru24  1  0.57416090  0.04228221  0.37727739  1.0
  Ru  Ru25  1  0.80311749  0.33499618  0.37727739  1.0
  Ru  Ru26  1  0.30309034  0.53969262  0.37696588  1.0
  Ru  Ru27  1  0.07387553  0.83727225  0.37696588  1.0
  Ru  Ru28  1  0.96030638  0.19690966  0.62303412  1.0
  Ru  Ru29  1  0.66272675  0.42612447  0.62303412  1.0
  Ru  Ru30  1  0.16500482  0.69688251  0.62272261  1.0
  Ru  Ru31  1  0.45771779  0.92583910  0.62272261  1.0
  Ru  Ru32  1  0.08775184  0.05314626  0.87766388  1.0
  Ru  Ru33  1  0.58889583  0.32494048  0.87817078  1.0
  Ru  Ru34  1  0.28927495  0.55323031  0.87817078  1.0
  Ru  Ru35  1  0.78991204  0.82451862  0.87766388  1.0