# generated using pymatgen
data_Y3Th(ReB6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73240202
_cell_length_b   9.22355594
_cell_length_c   11.63666802
_cell_angle_alpha   89.86391637
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Th(ReB6)2
_chemical_formula_sum   'Y6 Th2 Re4 B24'
_cell_volume   400.60302215
_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
  Y  Y0  1  0.00000000  0.32457216  0.41527594  1.0
  Y  Y1  1  0.00000000  0.67542784  0.58472406  1.0
  Y  Y2  1  0.00000000  0.44312227  0.13137092  1.0
  Y  Y3  1  0.00000000  0.55687773  0.86862908  1.0
  Y  Y4  1  0.00000000  0.94289683  0.37257965  1.0
  Y  Y5  1  0.00000000  0.05710317  0.62742035  1.0
  Th  Th6  1  0.00000000  0.82189199  0.08688645  1.0
  Th  Th7  1  0.00000000  0.17810801  0.91311355  1.0
  Re  Re8  1  0.00000000  0.13808983  0.18010240  1.0
  Re  Re9  1  0.00000000  0.86191017  0.81989760  1.0
  Re  Re10  1  0.00000000  0.63827963  0.32141135  1.0
  Re  Re11  1  0.00000000  0.36172037  0.67858865  1.0
  B  B12  1  0.50000000  0.05601182  0.07097978  1.0
  B  B13  1  0.50000000  0.94398818  0.92902122  1.0
  B  B14  1  0.50000000  0.55337451  0.43315793  1.0
  B  B15  1  0.50000000  0.44662549  0.56684107  1.0
  B  B16  1  0.50000000  0.24922547  0.08548173  1.0
  B  B17  1  0.50000000  0.75077453  0.91451827  1.0
  B  B18  1  0.50000000  0.74749588  0.41936538  1.0
  B  B19  1  0.50000000  0.25250412  0.58063462  1.0
  B  B20  1  0.50000000  0.29121920  0.23626269  1.0
  B  B21  1  0.50000000  0.70878080  0.76373731  1.0
  B  B22  1  0.50000000  0.78952003  0.26848916  1.0
  B  B23  1  0.50000000  0.21047997  0.73151084  1.0
  B  B24  1  0.50000000  0.13149241  0.31563223  1.0
  B  B25  1  0.50000000  0.86850759  0.68436777  1.0
  B  B26  1  0.50000000  0.62926099  0.18895158  1.0
  B  B27  1  0.50000000  0.37073901  0.81104842  1.0
  B  B28  1  0.50000000  0.48278723  0.28956467  1.0
  B  B29  1  0.50000000  0.51721277  0.71043533  1.0
  B  B30  1  0.50000000  0.98539998  0.21531997  1.0
  B  B31  1  0.50000000  0.01460002  0.78468003  1.0
  B  B32  1  0.50000000  0.10350457  0.47130513  1.0
  B  B33  1  0.50000000  0.89649543  0.52869487  1.0
  B  B34  1  0.50000000  0.59947210  0.02773570  1.0
  B  B35  1  0.50000000  0.40052790  0.97226430  1.0