# generated using pymatgen
data_Sc2ReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51757400
_cell_length_b   8.93209800
_cell_length_c   11.22111700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReB6
_chemical_formula_sum   'Sc8 Re4 B24'
_cell_volume   352.55981742
_cell_formula_units_Z   4
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  0.32234000  0.41313800  1.0
  Sc  Sc1  1  0.00000000  0.67766000  0.58686200  1.0
  Sc  Sc2  1  0.00000000  0.82234000  0.08686200  1.0
  Sc  Sc3  1  0.00000000  0.17766000  0.91313800  1.0
  Sc  Sc4  1  0.00000000  0.94475400  0.37125800  1.0
  Sc  Sc5  1  0.00000000  0.05524600  0.62874200  1.0
  Sc  Sc6  1  0.00000000  0.44475400  0.12874200  1.0
  Sc  Sc7  1  0.00000000  0.55524600  0.87125800  1.0
  Re  Re8  1  0.00000000  0.64029000  0.32034800  1.0
  Re  Re9  1  0.00000000  0.35971000  0.67965200  1.0
  Re  Re10  1  0.00000000  0.14029000  0.17965200  1.0
  Re  Re11  1  0.00000000  0.85971000  0.82034800  1.0
  B  B12  1  0.50000000  0.55337500  0.43493100  1.0
  B  B13  1  0.50000000  0.44662500  0.56506900  1.0
  B  B14  1  0.50000000  0.05337500  0.06506900  1.0
  B  B15  1  0.50000000  0.94662500  0.93493100  1.0
  B  B16  1  0.50000000  0.75409200  0.42224900  1.0
  B  B17  1  0.50000000  0.24590800  0.57775100  1.0
  B  B18  1  0.50000000  0.25409200  0.07775100  1.0
  B  B19  1  0.50000000  0.74590800  0.92224900  1.0
  B  B20  1  0.50000000  0.79625400  0.26452300  1.0
  B  B21  1  0.50000000  0.20374600  0.73547700  1.0
  B  B22  1  0.50000000  0.29625400  0.23547700  1.0
  B  B23  1  0.50000000  0.70374600  0.76452300  1.0
  B  B24  1  0.50000000  0.63091400  0.18243100  1.0
  B  B25  1  0.50000000  0.36908600  0.81756900  1.0
  B  B26  1  0.50000000  0.13091400  0.31756900  1.0
  B  B27  1  0.50000000  0.86908600  0.68243100  1.0
  B  B28  1  0.50000000  0.97995800  0.21252500  1.0
  B  B29  1  0.50000000  0.02004200  0.78747500  1.0
  B  B30  1  0.50000000  0.47995800  0.28747500  1.0
  B  B31  1  0.50000000  0.52004200  0.71252500  1.0
  B  B32  1  0.50000000  0.59740800  0.02725200  1.0
  B  B33  1  0.50000000  0.40259200  0.97274800  1.0
  B  B34  1  0.50000000  0.09740800  0.47274800  1.0
  B  B35  1  0.50000000  0.90259200  0.52725200  1.0