# generated using pymatgen
data_Sc2Ti3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86364268
_cell_length_b   6.86364268
_cell_length_c   12.57494079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ti3Si4
_chemical_formula_sum   'Sc8 Ti12 Si16'
_cell_volume   592.40031457
_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  0.99835670  0.65862127  0.03331855  1.0
  Sc  Sc1  1  0.50164330  0.15862127  0.21668145  1.0
  Sc  Sc2  1  0.84137773  0.49835670  0.28331855  1.0
  Sc  Sc3  1  0.34137873  0.00164330  0.46668145  1.0
  Sc  Sc4  1  0.00164330  0.34137873  0.53331855  1.0
  Sc  Sc5  1  0.49835670  0.84137773  0.71668145  1.0
  Sc  Sc6  1  0.15862127  0.50164330  0.78331855  1.0
  Sc  Sc7  1  0.65862127  0.99835670  0.96668045  1.0
  Ti  Ti8  1  0.32760482  0.32760482  0.00000000  1.0
  Ti  Ti9  1  0.49399978  0.64871378  0.12515827  1.0
  Ti  Ti10  1  0.00600022  0.14871378  0.12484173  1.0
  Ti  Ti11  1  0.17239518  0.82760482  0.25000000  1.0
  Ti  Ti12  1  0.85128622  0.99399978  0.37515827  1.0
  Ti  Ti13  1  0.35128622  0.50600022  0.37484173  1.0
  Ti  Ti14  1  0.67239518  0.67239518  0.50000000  1.0
  Ti  Ti15  1  0.50600022  0.35128622  0.62515827  1.0
  Ti  Ti16  1  0.99399978  0.85128622  0.62484173  1.0
  Ti  Ti17  1  0.82760482  0.17239518  0.75000000  1.0
  Ti  Ti18  1  0.14871378  0.00600022  0.87515827  1.0
  Ti  Ti19  1  0.64871378  0.49399978  0.87484173  1.0
  Si  Si20  1  0.29674530  0.95343536  0.06408710  1.0
  Si  Si21  1  0.70482723  0.36277097  0.06975661  1.0
  Si  Si22  1  0.79517377  0.86277097  0.18024339  1.0
  Si  Si23  1  0.20325470  0.45343536  0.18591290  1.0
  Si  Si24  1  0.54656464  0.79674530  0.31408710  1.0
  Si  Si25  1  0.13722903  0.20482623  0.31975661  1.0
  Si  Si26  1  0.63722903  0.29517377  0.43024339  1.0
  Si  Si27  1  0.04656464  0.70325470  0.43591290  1.0
  Si  Si28  1  0.70325470  0.04656464  0.56408710  1.0
  Si  Si29  1  0.29517377  0.63722903  0.56975661  1.0
  Si  Si30  1  0.20482623  0.13722903  0.68024339  1.0
  Si  Si31  1  0.79674530  0.54656464  0.68591290  1.0
  Si  Si32  1  0.45343536  0.20325470  0.81408710  1.0
  Si  Si33  1  0.86277097  0.79517377  0.81975661  1.0
  Si  Si34  1  0.36277097  0.70482723  0.93024339  1.0
  Si  Si35  1  0.95343536  0.29674530  0.93591290  1.0