# generated using pymatgen
data_Sc2Ta(TiSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86286409
_cell_length_b   6.86286409
_cell_length_c   12.59748844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ta(TiSi2)2
_chemical_formula_sum   'Sc8 Ta4 Ti8 Si16'
_cell_volume   593.32789211
_cell_formula_units_Z   4
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  0.00180725  0.65872312  0.03298891  1.0
  Sc  Sc1  1  0.99819275  0.34127688  0.53298891  1.0
  Sc  Sc2  1  0.34127688  0.99819275  0.46701109  1.0
  Sc  Sc3  1  0.15872312  0.49819275  0.78298891  1.0
  Sc  Sc4  1  0.84127688  0.50180725  0.28298891  1.0
  Sc  Sc5  1  0.49819275  0.15872312  0.21701109  1.0
  Sc  Sc6  1  0.50180725  0.84127688  0.71701109  1.0
  Sc  Sc7  1  0.65872312  0.00180725  0.96701109  1.0
  Ta  Ta8  1  0.67147271  0.67147271  0.50000000  1.0
  Ta  Ta9  1  0.17147271  0.82852729  0.25000000  1.0
  Ta  Ta10  1  0.32852729  0.32852729  0.00000000  1.0
  Ta  Ta11  1  0.82852729  0.17147271  0.75000000  1.0
  Ti  Ti12  1  0.99210728  0.84933995  0.62563956  1.0
  Ti  Ti13  1  0.00789272  0.15066005  0.12563956  1.0
  Ti  Ti14  1  0.84933995  0.99210728  0.37436044  1.0
  Ti  Ti15  1  0.34933995  0.50789272  0.37563956  1.0
  Ti  Ti16  1  0.65066005  0.49210728  0.87563956  1.0
  Ti  Ti17  1  0.50789272  0.34933995  0.62436044  1.0
  Ti  Ti18  1  0.49210728  0.65066005  0.12436044  1.0
  Ti  Ti19  1  0.15066005  0.00789272  0.87436044  1.0
  Si  Si20  1  0.04548016  0.70200712  0.43708044  1.0
  Si  Si21  1  0.63578388  0.29445811  0.42943211  1.0
  Si  Si22  1  0.36421612  0.70554189  0.92943211  1.0
  Si  Si23  1  0.20554189  0.13578388  0.67943211  1.0
  Si  Si24  1  0.29445811  0.63578388  0.57056789  1.0
  Si  Si25  1  0.70554189  0.36421612  0.07056789  1.0
  Si  Si26  1  0.79445811  0.86421612  0.17943211  1.0
  Si  Si27  1  0.13578388  0.20554189  0.32056789  1.0
  Si  Si28  1  0.95451984  0.29799288  0.93708044  1.0
  Si  Si29  1  0.70200712  0.04548016  0.56291956  1.0
  Si  Si30  1  0.20200712  0.45451984  0.18708044  1.0
  Si  Si31  1  0.79799288  0.54548016  0.68708044  1.0
  Si  Si32  1  0.45451984  0.20200712  0.81291956  1.0
  Si  Si33  1  0.54548016  0.79799288  0.31291956  1.0
  Si  Si34  1  0.29799288  0.95451984  0.06291956  1.0
  Si  Si35  1  0.86421612  0.79445811  0.82056789  1.0