# generated using pymatgen
data_Sc2ReB2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43189969
_cell_length_b   9.43189969
_cell_length_c   2.99219391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReB2Ru5
_chemical_formula_sum   'Sc4 Re2 B4 Ru10'
_cell_volume   266.18775961
_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  0.67469414  0.17469414  0.00000000  1.0
  Sc  Sc1  1  0.32530586  0.82530586  0.00000000  1.0
  Sc  Sc2  1  0.17469414  0.32530586  0.00000000  1.0
  Sc  Sc3  1  0.82530586  0.67469414  0.00000000  1.0
  Re  Re4  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re5  1  0.50000000  0.50000000  0.00000000  1.0
  B  B6  1  0.12011274  0.62011274  0.00000000  1.0
  B  B7  1  0.87988726  0.37988726  0.00000000  1.0
  B  B8  1  0.62011274  0.87988726  0.00000000  1.0
  B  B9  1  0.37988726  0.12011274  0.00000000  1.0
  Ru  Ru10  1  0.21570960  0.07162795  0.50000000  1.0
  Ru  Ru11  1  0.78429040  0.92837205  0.50000000  1.0
  Ru  Ru12  1  0.07162795  0.78429040  0.50000000  1.0
  Ru  Ru13  1  0.71570960  0.42837205  0.50000000  1.0
  Ru  Ru14  1  0.92837205  0.21570960  0.50000000  1.0
  Ru  Ru15  1  0.28429040  0.57162795  0.50000000  1.0
  Ru  Ru16  1  0.57162795  0.71570960  0.50000000  1.0
  Ru  Ru17  1  0.42837205  0.28429040  0.50000000  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0