# generated using pymatgen
data_Sc2Re2B4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02340048
_cell_length_b   8.51031929
_cell_length_c   10.00040823
_cell_angle_alpha   89.99857299
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Re2B4Ru3
_chemical_formula_sum   'Sc4 Re4 B8 Ru6'
_cell_volume   257.31153827
_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
  Sc  Sc0  1  0.50000000  0.84392203  0.18179302  1.0
  Sc  Sc1  1  0.50000000  0.15607797  0.81820698  1.0
  Sc  Sc2  1  0.50000000  0.65609794  0.68191282  1.0
  Sc  Sc3  1  0.50000000  0.34390206  0.31808718  1.0
  Re  Re4  1  0.00000000  0.65932885  0.95335408  1.0
  Re  Re5  1  0.00000000  0.34067115  0.04664592  1.0
  Re  Re6  1  0.00000000  0.84069661  0.45336775  1.0
  Re  Re7  1  0.00000000  0.15930339  0.54663225  1.0
  B  B8  1  0.50000000  0.96396473  0.58976385  1.0
  B  B9  1  0.50000000  0.03603527  0.41023615  1.0
  B  B10  1  0.50000000  0.84795643  0.90157761  1.0
  B  B11  1  0.50000000  0.15204357  0.09842239  1.0
  B  B12  1  0.50000000  0.65204516  0.40157989  1.0
  B  B13  1  0.50000000  0.34795484  0.59842011  1.0
  B  B14  1  0.50000000  0.46391679  0.91027846  1.0
  B  B15  1  0.50000000  0.53608321  0.08972154  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40242515  0.75967879  1.0
  Ru  Ru18  1  0.00000000  0.59757485  0.24032121  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90246867  0.74029669  1.0
  Ru  Ru21  1  0.00000000  0.09753133  0.25970331  1.0