# generated using pymatgen
data_Zr2(ScRe8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42962026
_cell_length_b   8.43066150
_cell_length_c   8.42962047
_cell_angle_alpha   109.47691683
_cell_angle_beta   109.45482501
_cell_angle_gamma   109.47691247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2(ScRe8)3
_chemical_formula_sum   'Zr2 Sc3 Re24'
_cell_volume   461.19290216
_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
  Zr  Zr0  1  0.36974469  0.36942690  0.36974469  1.0
  Zr  Zr1  1  0.00031779  0.63057310  0.00031779  1.0
  Sc  Sc2  1  0.63039439  0.00000000  0.00036120  1.0
  Sc  Sc3  1  0.00036120  1.00000000  0.63039439  1.0
  Sc  Sc4  1  0.99752789  1.00000000  0.99752789  1.0
  Re  Re5  1  0.99822790  0.39562951  0.67592848  1.0
  Re  Re6  1  0.28029996  0.60437049  0.60259839  1.0
  Re  Re7  1  0.72113532  0.32527068  0.32344598  1.0
  Re  Re8  1  0.32388827  0.72116127  0.32388827  1.0
  Re  Re9  1  0.67637442  0.00000000  0.39638799  1.0
  Re  Re10  1  0.99817630  0.67472932  0.39586665  1.0
  Re  Re11  1  0.60259839  0.60437049  0.28029996  1.0
  Re  Re12  1  0.80783057  0.80871190  0.18540498  1.0
  Re  Re13  1  0.37669308  0.19128810  0.99911767  1.0
  Re  Re14  1  0.19344830  0.37627975  0.99930248  1.0
  Re  Re15  1  0.62429079  0.81574814  0.62429079  1.0
  Re  Re16  1  0.37802265  1.00000000  0.19375295  1.0
  Re  Re17  1  0.99930248  0.37627975  0.19344830  1.0
  Re  Re18  1  0.81716755  0.62372025  0.62302273  1.0
  Re  Re19  1  0.18540498  0.80871190  0.80783057  1.0
  Re  Re20  1  0.80854266  0.18425186  0.80854266  1.0
  Re  Re21  1  0.19375295  1.00000000  0.37802265  1.0
  Re  Re22  1  0.99911767  0.19128810  0.37669308  1.0
  Re  Re23  1  0.62302273  0.62372025  0.81716755  1.0
  Re  Re24  1  0.39638799  0.00000000  0.67637442  1.0
  Re  Re25  1  0.60272599  0.27883873  0.60272599  1.0
  Re  Re26  1  0.67592848  0.39562951  0.99822790  1.0
  Re  Re27  1  0.39586665  0.67472932  0.99817630  1.0
  Re  Re28  1  0.32344598  0.32527068  0.72113532  1.0