# generated using pymatgen
data_Sc(NbRe6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38743689
_cell_length_b   8.38743577
_cell_length_c   8.38743612
_cell_angle_alpha   109.47122623
_cell_angle_beta   109.47122352
_cell_angle_gamma   109.47121708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(NbRe6)4
_chemical_formula_sum   'Sc1 Nb4 Re24'
_cell_volume   454.21950698
_cell_formula_units_Z   1
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  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.36855313  0.36855313  0.36855313  1.0
  Nb  Nb2  1  1.00000000  0.63144687  1.00000000  1.0
  Nb  Nb3  1  0.63144687  0.00000000  0.00000000  1.0
  Nb  Nb4  1  1.00000000  1.00000000  0.63144687  1.0
  Re  Re5  1  1.00000000  0.39964304  0.68160437  1.0
  Re  Re6  1  0.28196233  0.60035696  0.60035696  1.0
  Re  Re7  1  0.71803767  0.31839563  0.31839563  1.0
  Re  Re8  1  0.31839563  0.71803767  0.31839563  1.0
  Re  Re9  1  0.68160437  0.00000000  0.39964304  1.0
  Re  Re10  1  1.00000000  0.68160437  0.39964304  1.0
  Re  Re11  1  0.60035696  0.60035696  0.28196233  1.0
  Re  Re12  1  0.80541071  0.80541071  0.18201900  1.0
  Re  Re13  1  0.37660829  0.19458929  0.00000000  1.0
  Re  Re14  1  0.19458929  0.37660829  0.00000000  1.0
  Re  Re15  1  0.62339171  0.81798100  0.62339171  1.0
  Re  Re16  1  0.37660829  0.00000000  0.19458929  1.0
  Re  Re17  1  0.00000000  0.37660829  0.19458929  1.0
  Re  Re18  1  0.81798100  0.62339171  0.62339171  1.0
  Re  Re19  1  0.18201900  0.80541071  0.80541071  1.0
  Re  Re20  1  0.80541071  0.18201900  0.80541071  1.0
  Re  Re21  1  0.19458929  1.00000000  0.37660829  1.0
  Re  Re22  1  0.00000000  0.19458929  0.37660829  1.0
  Re  Re23  1  0.62339171  0.62339171  0.81798100  1.0
  Re  Re24  1  0.39964304  1.00000000  0.68160437  1.0
  Re  Re25  1  0.60035696  0.28196233  0.60035696  1.0
  Re  Re26  1  0.68160437  0.39964304  1.00000000  1.0
  Re  Re27  1  0.39964304  0.68160437  1.00000000  1.0
  Re  Re28  1  0.31839563  0.31839563  0.71803767  1.0