# generated using pymatgen
data_Sc4Ga20(ReRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93323010
_cell_length_b   8.93323010
_cell_length_c   5.98181795
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.84119043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ga20(ReRu)3
_chemical_formula_sum   'Sc4 Ga20 Re3 Ru3'
_cell_volume   477.36279130
_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  0.18291464  0.68148309  0.00000000  1.0
  Sc  Sc1  1  0.81851691  0.31708536  0.00000000  1.0
  Sc  Sc2  1  0.68259392  0.81740608  0.00000000  1.0
  Sc  Sc3  1  0.31655254  0.18344746  0.00000000  1.0
  Ga  Ga4  1  0.06208415  0.20818023  0.71545856  1.0
  Ga  Ga5  1  0.93942361  0.79271153  0.71610550  1.0
  Ga  Ga6  1  0.56091835  0.29237947  0.71652119  1.0
  Ga  Ga7  1  0.43923373  0.70818821  0.71607209  1.0
  Ga  Ga8  1  0.79181179  0.06076627  0.71607209  1.0
  Ga  Ga9  1  0.20762053  0.93908165  0.71652119  1.0
  Ga  Ga10  1  0.70728847  0.56057639  0.71610550  1.0
  Ga  Ga11  1  0.29181977  0.43791585  0.71545856  1.0
  Ga  Ga12  1  0.93942361  0.79271153  0.28389450  1.0
  Ga  Ga13  1  0.06208415  0.20818023  0.28454144  1.0
  Ga  Ga14  1  0.43923373  0.70818821  0.28392791  1.0
  Ga  Ga15  1  0.56091835  0.29237947  0.28347881  1.0
  Ga  Ga16  1  0.20762053  0.93908165  0.28347881  1.0
  Ga  Ga17  1  0.79181179  0.06076627  0.28392791  1.0
  Ga  Ga18  1  0.29181977  0.43791585  0.28454144  1.0
  Ga  Ga19  1  0.70728847  0.56057639  0.28389450  1.0
  Ga  Ga20  1  0.00057620  0.49942380  0.73203699  1.0
  Ga  Ga21  1  0.49905508  0.00094492  0.73259768  1.0
  Ga  Ga22  1  0.00057620  0.49942380  0.26796301  1.0
  Ga  Ga23  1  0.49905508  0.00094492  0.26740232  1.0
  Re  Re24  1  0.17808948  0.67816151  0.50000000  1.0
  Re  Re25  1  0.82183849  0.32191052  0.50000000  1.0
  Re  Re26  1  0.67726512  0.82273488  0.50000000  1.0
  Ru  Ru27  1  0.32338327  0.17661673  0.50000000  1.0
  Ru  Ru28  1  0.00050890  0.00132565  0.00000000  1.0
  Ru  Ru29  1  0.49867435  0.49949110  0.00000000  1.0