# generated using pymatgen
data_ScTiV3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52674259
_cell_length_b   6.52532449
_cell_length_c   12.05901721
_cell_angle_alpha   90.14583552
_cell_angle_beta   89.92840843
_cell_angle_gamma   89.87196295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiV3Si4
_chemical_formula_sum   'Sc4 Ti4 V12 Si16'
_cell_volume   513.57949902
_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  0.49979454  0.16412583  0.21901484  1.0
  Sc  Sc1  1  0.99982792  0.33739763  0.53098406  1.0
  Sc  Sc2  1  0.66399915  0.00017117  0.97059394  1.0
  Sc  Sc3  1  0.33790778  0.99893553  0.46920453  1.0
  Ti  Ti4  1  0.00764352  0.65918200  0.02895769  1.0
  Ti  Ti5  1  0.84111666  0.50821568  0.28094876  1.0
  Ti  Ti6  1  0.16111911  0.49407598  0.78006473  1.0
  Ti  Ti7  1  0.50685830  0.83839464  0.72086344  1.0
  V  V8  1  0.33059364  0.33725117  0.99876650  1.0
  V  V9  1  0.16358991  0.82966708  0.24890646  1.0
  V  V10  1  0.83540649  0.16524187  0.75125028  1.0
  V  V11  1  0.66770148  0.66698671  0.50138477  1.0
  V  V12  1  0.00252485  0.15661788  0.12572687  1.0
  V  V13  1  0.34182579  0.50646047  0.37666595  1.0
  V  V14  1  0.65435653  0.49630237  0.87661718  1.0
  V  V15  1  0.50785786  0.34566023  0.62522918  1.0
  V  V16  1  0.48830643  0.65571720  0.12155410  1.0
  V  V17  1  0.99394229  0.84282798  0.62955343  1.0
  V  V18  1  0.15383499  0.00780135  0.87259274  1.0
  V  V19  1  0.84219747  0.98953191  0.37261295  1.0
  Si  Si20  1  0.29006680  0.95874005  0.06275871  1.0
  Si  Si21  1  0.54077188  0.79038540  0.31289073  1.0
  Si  Si22  1  0.46038983  0.20460632  0.81435172  1.0
  Si  Si23  1  0.79630204  0.54068969  0.68725655  1.0
  Si  Si24  1  0.19921105  0.46085054  0.18470315  1.0
  Si  Si25  1  0.70479461  0.03865144  0.56542282  1.0
  Si  Si26  1  0.96034080  0.30053887  0.93502774  1.0
  Si  Si27  1  0.03980416  0.70422683  0.43638634  1.0
  Si  Si28  1  0.70996981  0.37714007  0.07298972  1.0
  Si  Si29  1  0.12433591  0.20729208  0.31962393  1.0
  Si  Si30  1  0.87285185  0.78893058  0.82387111  1.0
  Si  Si31  1  0.20984454  0.12854239  0.67977243  1.0
  Si  Si32  1  0.79681286  0.86196509  0.17656348  1.0
  Si  Si33  1  0.29683400  0.63303121  0.57629245  1.0
  Si  Si34  1  0.36392049  0.70565139  0.92334319  1.0
  Si  Si35  1  0.63334368  0.29819540  0.42725353  1.0