# generated using pymatgen
data_Sc4Ti5ReSi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80305601
_cell_length_b   6.80305601
_cell_length_c   12.47942568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99405066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ti5ReSi8
_chemical_formula_sum   'Sc8 Ti10 Re2 Si16'
_cell_volume   577.56742415
_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  0.33905333  0.99869131  0.46706575  1.0
  Sc  Sc1  1  0.66094867  0.00130769  0.96706575  1.0
  Sc  Sc2  1  0.84189252  0.50077599  0.28135635  1.0
  Sc  Sc3  1  0.15810748  0.49922301  0.78135635  1.0
  Sc  Sc4  1  0.00130769  0.66094867  0.03293425  1.0
  Sc  Sc5  1  0.99869131  0.33905333  0.53293425  1.0
  Sc  Sc6  1  0.49922301  0.15810748  0.21864265  1.0
  Sc  Sc7  1  0.50077599  0.84189252  0.71864265  1.0
  Ti  Ti8  1  0.32783052  0.32783052  0.00000000  1.0
  Ti  Ti9  1  0.67216948  0.67216948  0.50000000  1.0
  Ti  Ti10  1  0.14964996  0.00755470  0.87499504  1.0
  Ti  Ti11  1  0.85035004  0.99244530  0.37499404  1.0
  Ti  Ti12  1  0.65076505  0.49540221  0.87506806  1.0
  Ti  Ti13  1  0.34923595  0.50459779  0.37506806  1.0
  Ti  Ti14  1  0.99244530  0.85035004  0.62500596  1.0
  Ti  Ti15  1  0.00755470  0.14964996  0.12500596  1.0
  Ti  Ti16  1  0.50459779  0.34923595  0.62493194  1.0
  Ti  Ti17  1  0.49540221  0.65076505  0.12493194  1.0
  Re  Re18  1  0.82627505  0.17372495  0.74999900  1.0
  Re  Re19  1  0.17372495  0.82627505  0.25000000  1.0
  Si  Si20  1  0.29806233  0.95306151  0.06601803  1.0
  Si  Si21  1  0.70193767  0.04694049  0.56601803  1.0
  Si  Si22  1  0.79534163  0.54483102  0.68530829  1.0
  Si  Si23  1  0.20465837  0.45517098  0.18530929  1.0
  Si  Si24  1  0.04694049  0.70193767  0.43398097  1.0
  Si  Si25  1  0.95306151  0.29806233  0.93398097  1.0
  Si  Si26  1  0.45517098  0.20465837  0.81469071  1.0
  Si  Si27  1  0.54483102  0.79534163  0.31469071  1.0
  Si  Si28  1  0.20314893  0.13511239  0.68010771  1.0
  Si  Si29  1  0.79685107  0.86488861  0.18010771  1.0
  Si  Si30  1  0.70475190  0.36273789  0.06943289  1.0
  Si  Si31  1  0.29524810  0.63726411  0.56943289  1.0
  Si  Si32  1  0.86488861  0.79685107  0.81989329  1.0
  Si  Si33  1  0.13511239  0.20314893  0.31989329  1.0
  Si  Si34  1  0.63726411  0.29524810  0.43056611  1.0
  Si  Si35  1  0.36273789  0.70475190  0.93056611  1.0