# generated using pymatgen
data_ScNb(ReSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63682181
_cell_length_b   7.66554507
_cell_length_c   7.63682228
_cell_angle_alpha   126.21462091
_cell_angle_beta   128.16034670
_cell_angle_gamma   77.87132854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb(ReSi)2
_chemical_formula_sum   'Sc3 Nb3 Re6 Si6'
_cell_volume   275.02025347
_cell_formula_units_Z   3
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  0.54918774  0.09268695  0.04349921  1.0
  Sc  Sc1  1  0.45162409  0.49591309  0.54429001  1.0
  Sc  Sc2  1  0.94975191  0.49517950  0.04542659  1.0
  Nb  Nb3  1  0.04861074  0.09189427  0.54328353  1.0
  Nb  Nb4  1  0.75084577  0.90497284  0.65412707  1.0
  Nb  Nb5  1  0.25074683  0.89840888  0.14766205  1.0
  Re  Re6  1  0.49600962  0.23463269  0.73417491  1.0
  Re  Re7  1  0.00045878  0.23463269  0.23862407  1.0
  Re  Re8  1  0.12253410  0.75761152  0.62548316  1.0
  Re  Re9  1  0.87827567  0.50003023  0.63103010  1.0
  Re  Re10  1  0.63212836  0.75761152  0.13507742  1.0
  Re  Re11  1  0.36899913  0.50003023  0.12175456  1.0
  Si  Si12  1  0.74853065  0.49596624  0.24743459  1.0
  Si  Si13  1  0.25204110  0.49843508  0.74639397  1.0
  Si  Si14  1  0.33098441  0.82836165  0.49285968  1.0
  Si  Si15  1  0.66811744  0.16373498  0.49808131  1.0
  Si  Si16  1  0.83550097  0.82836165  0.99737624  1.0
  Si  Si17  1  0.16565267  0.16373498  0.99561754  1.0