# generated using pymatgen
data_ZrSc3(Nb3Si4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69911751
_cell_length_b   6.90085173
_cell_length_c   13.12565436
_cell_angle_alpha   89.94884763
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc3(Nb3Si4)2
_chemical_formula_sum   'Zr2 Sc6 Nb12 Si16'
_cell_volume   606.79372754
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.50275329  0.67540764  0.59681449  1.0
  Zr  Zr1  1  0.00275329  0.82459236  0.90318551  1.0
  Sc  Sc2  1  0.49855204  0.32624260  0.09583772  1.0
  Sc  Sc3  1  0.99855204  0.17375740  0.40416228  1.0
  Sc  Sc4  1  0.49842122  0.32715350  0.40440933  1.0
  Sc  Sc5  1  0.99842122  0.17284650  0.09559067  1.0
  Sc  Sc6  1  0.49977831  0.67404949  0.90465130  1.0
  Sc  Sc7  1  0.99977831  0.82595051  0.59534870  1.0
  Nb  Nb8  1  0.66292386  0.17534906  0.62416954  1.0
  Nb  Nb9  1  0.16292386  0.32465094  0.87583046  1.0
  Nb  Nb10  1  0.33634412  0.82420479  0.12433966  1.0
  Nb  Nb11  1  0.83634412  0.67579521  0.37566034  1.0
  Nb  Nb12  1  0.33733279  0.82341703  0.37575166  1.0
  Nb  Nb13  1  0.83733279  0.67658297  0.12424834  1.0
  Nb  Nb14  1  0.66500594  0.17399116  0.87517613  1.0
  Nb  Nb15  1  0.16500594  0.32600884  0.62482387  1.0
  Nb  Nb16  1  0.83750719  0.49591430  0.75073473  1.0
  Nb  Nb17  1  0.33750719  0.00408570  0.74926527  1.0
  Nb  Nb18  1  0.16263504  0.50547773  0.25002062  1.0
  Nb  Nb19  1  0.66263504  0.99452227  0.24997938  1.0
  Si  Si20  1  0.66729116  0.96793107  0.46083249  1.0
  Si  Si21  1  0.16729116  0.53206893  0.03916751  1.0
  Si  Si22  1  0.33193687  0.03402593  0.96164032  1.0
  Si  Si23  1  0.83193687  0.46597407  0.53835968  1.0
  Si  Si24  1  0.33085599  0.03417968  0.53834012  1.0
  Si  Si25  1  0.83085599  0.46582032  0.96165988  1.0
  Si  Si26  1  0.66797907  0.96719601  0.03888458  1.0
  Si  Si27  1  0.16797907  0.53280399  0.46111542  1.0
  Si  Si28  1  0.46044975  0.38613077  0.75080295  1.0
  Si  Si29  1  0.96044975  0.11386923  0.74919705  1.0
  Si  Si30  1  0.54040523  0.61351842  0.24966411  1.0
  Si  Si31  1  0.04040523  0.88648158  0.25033589  1.0
  Si  Si32  1  0.70574931  0.86516701  0.75016812  1.0
  Si  Si33  1  0.20574931  0.63483299  0.74983188  1.0
  Si  Si34  1  0.29407784  0.13557035  0.24990529  1.0
  Si  Si35  1  0.79407784  0.36442965  0.25009471  1.0