# generated using pymatgen
data_Sc2Ti2ReSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74317145
_cell_length_b   6.74317145
_cell_length_c   12.39731999
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ti2ReSi4
_chemical_formula_sum   'Sc8 Ti8 Re4 Si16'
_cell_volume   563.71061775
_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  0.00017133  0.66177557  0.02996371  1.0
  Sc  Sc1  1  0.99982867  0.33822443  0.52996371  1.0
  Sc  Sc2  1  0.33822443  0.99982867  0.47003629  1.0
  Sc  Sc3  1  0.16177557  0.49982867  0.77996371  1.0
  Sc  Sc4  1  0.83822443  0.50017133  0.27996371  1.0
  Sc  Sc5  1  0.49982867  0.16177557  0.22003629  1.0
  Sc  Sc6  1  0.50017133  0.83822443  0.72003629  1.0
  Sc  Sc7  1  0.66177557  0.00017133  0.97003629  1.0
  Ti  Ti8  1  0.99518975  0.85009292  0.62567286  1.0
  Ti  Ti9  1  0.00481025  0.14990708  0.12567286  1.0
  Ti  Ti10  1  0.85009292  0.99518975  0.37432714  1.0
  Ti  Ti11  1  0.35009292  0.50481025  0.37567286  1.0
  Ti  Ti12  1  0.64990708  0.49518975  0.87567286  1.0
  Ti  Ti13  1  0.50481025  0.35009292  0.62432714  1.0
  Ti  Ti14  1  0.49518975  0.64990708  0.12432714  1.0
  Ti  Ti15  1  0.14990708  0.00481025  0.87432714  1.0
  Re  Re16  1  0.67225118  0.67225118  0.50000000  1.0
  Re  Re17  1  0.17225118  0.82774882  0.25000000  1.0
  Re  Re18  1  0.32774882  0.32774882  0.00000000  1.0
  Re  Re19  1  0.82774882  0.17225118  0.75000000  1.0
  Si  Si20  1  0.04534960  0.70191211  0.43382404  1.0
  Si  Si21  1  0.63514211  0.29521268  0.42927842  1.0
  Si  Si22  1  0.36485789  0.70478732  0.92927842  1.0
  Si  Si23  1  0.20478732  0.13514211  0.67927842  1.0
  Si  Si24  1  0.29521268  0.63514211  0.57072158  1.0
  Si  Si25  1  0.70478732  0.36485789  0.07072158  1.0
  Si  Si26  1  0.79521268  0.86485789  0.17927842  1.0
  Si  Si27  1  0.13514211  0.20478732  0.32072158  1.0
  Si  Si28  1  0.95465040  0.29808789  0.93382404  1.0
  Si  Si29  1  0.70191211  0.04534960  0.56617596  1.0
  Si  Si30  1  0.20191211  0.45465040  0.18382404  1.0
  Si  Si31  1  0.79808789  0.54534960  0.68382404  1.0
  Si  Si32  1  0.45465040  0.20191211  0.81617596  1.0
  Si  Si33  1  0.54534960  0.79808789  0.31617596  1.0
  Si  Si34  1  0.29808789  0.95465040  0.06617596  1.0
  Si  Si35  1  0.86485789  0.79521268  0.82072158  1.0