# generated using pymatgen
data_Sc2Re3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07497514
_cell_length_b   6.07497514
_cell_length_c   11.21541099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Re3B4
_chemical_formula_sum   'Sc8 Re12 B16'
_cell_volume   413.90836404
_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  0.99353833  0.65240568  0.03898255  1.0
  Sc  Sc1  1  0.00646167  0.34759432  0.53898255  1.0
  Sc  Sc2  1  0.34759432  0.00646167  0.46101745  1.0
  Sc  Sc3  1  0.15240568  0.50646167  0.78898255  1.0
  Sc  Sc4  1  0.84759432  0.49353833  0.28898255  1.0
  Sc  Sc5  1  0.50646167  0.15240568  0.21101745  1.0
  Sc  Sc6  1  0.49353833  0.84759432  0.71101745  1.0
  Sc  Sc7  1  0.65240568  0.99353833  0.96101745  1.0
  Re  Re8  1  0.67480583  0.67480583  0.50000000  1.0
  Re  Re9  1  0.17480583  0.82519417  0.25000000  1.0
  Re  Re10  1  0.32519417  0.32519417  0.00000000  1.0
  Re  Re11  1  0.00530682  0.85145314  0.62486687  1.0
  Re  Re12  1  0.99469318  0.14854686  0.12486687  1.0
  Re  Re13  1  0.85145314  0.00530682  0.37513313  1.0
  Re  Re14  1  0.35145314  0.49469318  0.37486687  1.0
  Re  Re15  1  0.64854686  0.50530682  0.87486687  1.0
  Re  Re16  1  0.49469318  0.35145314  0.62513313  1.0
  Re  Re17  1  0.50530682  0.64854686  0.12513313  1.0
  Re  Re18  1  0.14854686  0.99469318  0.87513313  1.0
  Re  Re19  1  0.82519417  0.17480583  0.75000000  1.0
  B  B20  1  0.06224348  0.70849923  0.44161283  1.0
  B  B21  1  0.64371105  0.29121232  0.44043965  1.0
  B  B22  1  0.35628895  0.70878768  0.94043965  1.0
  B  B23  1  0.20878768  0.14371105  0.69043965  1.0
  B  B24  1  0.29121232  0.64371105  0.55956035  1.0
  B  B25  1  0.70878768  0.35628895  0.05956035  1.0
  B  B26  1  0.79121232  0.85628895  0.19043965  1.0
  B  B27  1  0.14371105  0.20878768  0.30956035  1.0
  B  B28  1  0.93775652  0.29150077  0.94161283  1.0
  B  B29  1  0.70849923  0.06224348  0.55838717  1.0
  B  B30  1  0.20849923  0.43775652  0.19161283  1.0
  B  B31  1  0.79150077  0.56224348  0.69161283  1.0
  B  B32  1  0.43775652  0.20849923  0.80838717  1.0
  B  B33  1  0.56224348  0.79150077  0.30838717  1.0
  B  B34  1  0.29150077  0.93775652  0.05838717  1.0
  B  B35  1  0.85628895  0.79121232  0.80956035  1.0