# generated using pymatgen
data_Sc8Re(B8Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49469932
_cell_length_b   8.86244666
_cell_length_c   11.17853265
_cell_angle_alpha   90.09339356
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Re(B8Ru)3
_chemical_formula_sum   'Sc8 Re1 B24 Ru3'
_cell_volume   346.21642890
_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
  Sc  Sc0  1  0.00000000  0.31925137  0.41556058  1.0
  Sc  Sc1  1  0.00000000  0.68432374  0.58853466  1.0
  Sc  Sc2  1  0.00000000  0.81926105  0.08280565  1.0
  Sc  Sc3  1  0.00000000  0.17826566  0.91347828  1.0
  Sc  Sc4  1  0.00000000  0.94363318  0.37195374  1.0
  Sc  Sc5  1  0.00000000  0.05606982  0.62736066  1.0
  Sc  Sc6  1  0.00000000  0.44288314  0.12782158  1.0
  Sc  Sc7  1  0.00000000  0.55603197  0.87282436  1.0
  Re  Re8  1  0.00000000  0.86190010  0.82046749  1.0
  B  B9  1  0.50000000  0.55377674  0.43519726  1.0
  B  B10  1  0.50000000  0.44658387  0.56498107  1.0
  B  B11  1  0.50000000  0.05354262  0.06582410  1.0
  B  B12  1  0.50000000  0.94752192  0.93554692  1.0
  B  B13  1  0.50000000  0.75159701  0.42107169  1.0
  B  B14  1  0.50000000  0.24880212  0.57844593  1.0
  B  B15  1  0.50000000  0.25099533  0.07911966  1.0
  B  B16  1  0.50000000  0.74769720  0.92137287  1.0
  B  B17  1  0.50000000  0.79310004  0.26390538  1.0
  B  B18  1  0.50000000  0.20695887  0.73482641  1.0
  B  B19  1  0.50000000  0.29352026  0.23613888  1.0
  B  B20  1  0.50000000  0.70544308  0.76388848  1.0
  B  B21  1  0.50000000  0.62948317  0.18269062  1.0
  B  B22  1  0.50000000  0.36995350  0.81694689  1.0
  B  B23  1  0.50000000  0.12998649  0.31734787  1.0
  B  B24  1  0.50000000  0.87052257  0.68240710  1.0
  B  B25  1  0.50000000  0.97977531  0.21274620  1.0
  B  B26  1  0.50000000  0.02183377  0.78716694  1.0
  B  B27  1  0.50000000  0.47969040  0.28780790  1.0
  B  B28  1  0.50000000  0.51995667  0.71245140  1.0
  B  B29  1  0.50000000  0.60045153  0.02842307  1.0
  B  B30  1  0.50000000  0.39716485  0.97214736  1.0
  B  B31  1  0.50000000  0.10250897  0.47147043  1.0
  B  B32  1  0.50000000  0.89867729  0.52725524  1.0
  Ru  Ru33  1  0.00000000  0.63839721  0.32025585  1.0
  Ru  Ru34  1  0.00000000  0.36155084  0.67938013  1.0
  Ru  Ru35  1  0.00000000  0.13888834  0.18037638  1.0