# generated using pymatgen
data_Sc2Re(BRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01312615
_cell_length_b   8.48358833
_cell_length_c   10.02038873
_cell_angle_alpha   90.45039841
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Re(BRu)4
_chemical_formula_sum   'Sc4 Re2 B8 Ru8'
_cell_volume   256.13448333
_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  0.84159644  0.17746785  1.0
  Sc  Sc1  1  0.50000000  0.15840356  0.82253215  1.0
  Sc  Sc2  1  0.50000000  0.65653799  0.68513801  1.0
  Sc  Sc3  1  0.50000000  0.34346201  0.31486199  1.0
  Re  Re4  1  0.00000000  0.65980710  0.95306543  1.0
  Re  Re5  1  0.00000000  0.34019290  0.04693457  1.0
  B  B6  1  0.50000000  0.96502569  0.59018049  1.0
  B  B7  1  0.50000000  0.03497431  0.40981951  1.0
  B  B8  1  0.50000000  0.84819684  0.90142273  1.0
  B  B9  1  0.50000000  0.15180316  0.09857727  1.0
  B  B10  1  0.50000000  0.64797278  0.39918351  1.0
  B  B11  1  0.50000000  0.35202722  0.60081649  1.0
  B  B12  1  0.50000000  0.46320013  0.91159166  1.0
  B  B13  1  0.50000000  0.53679987  0.08840834  1.0
  Ru  Ru14  1  0.00000000  0.84196712  0.45373339  1.0
  Ru  Ru15  1  0.00000000  0.15803288  0.54626661  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40236517  0.75892917  1.0
  Ru  Ru18  1  0.00000000  0.59763483  0.24107083  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90546360  0.73813538  1.0
  Ru  Ru21  1  0.00000000  0.09453640  0.26186462  1.0