# generated using pymatgen
data_Sc3(Si2Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97098458
_cell_length_b   11.65998385
_cell_length_c   11.91002058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(Si2Ni)2
_chemical_formula_sum   'Sc12 Si16 Ni8'
_cell_volume   551.45320030
_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  0.75000000  0.98054366  0.81353814  1.0
  Sc  Sc1  1  0.25000000  0.01945634  0.18646186  1.0
  Sc  Sc2  1  0.75000000  0.48054366  0.68646186  1.0
  Sc  Sc3  1  0.25000000  0.51945634  0.31353814  1.0
  Sc  Sc4  1  0.75000000  0.75299681  0.65034182  1.0
  Sc  Sc5  1  0.25000000  0.24700319  0.34965818  1.0
  Sc  Sc6  1  0.75000000  0.25299681  0.84965818  1.0
  Sc  Sc7  1  0.25000000  0.74700319  0.15034182  1.0
  Sc  Sc8  1  0.75000000  0.69530388  0.92027500  1.0
  Sc  Sc9  1  0.25000000  0.30469612  0.07972500  1.0
  Sc  Sc10  1  0.75000000  0.19530388  0.57972500  1.0
  Sc  Sc11  1  0.25000000  0.80469612  0.42027500  1.0
  Si  Si12  1  0.75000000  0.94301139  0.53285447  1.0
  Si  Si13  1  0.25000000  0.05698861  0.46714553  1.0
  Si  Si14  1  0.75000000  0.44301139  0.96714553  1.0
  Si  Si15  1  0.25000000  0.55698861  0.03285447  1.0
  Si  Si16  1  0.75000000  0.89253657  0.06317286  1.0
  Si  Si17  1  0.25000000  0.10746343  0.93682714  1.0
  Si  Si18  1  0.75000000  0.39253657  0.43682714  1.0
  Si  Si19  1  0.25000000  0.60746343  0.56317286  1.0
  Si  Si20  1  0.75000000  0.87725318  0.26594908  1.0
  Si  Si21  1  0.25000000  0.12274682  0.73405092  1.0
  Si  Si22  1  0.75000000  0.37725318  0.23405092  1.0
  Si  Si23  1  0.25000000  0.62274682  0.76594908  1.0
  Si  Si24  1  0.75000000  0.67322986  0.29799345  1.0
  Si  Si25  1  0.25000000  0.32677014  0.70200655  1.0
  Si  Si26  1  0.75000000  0.17322986  0.20200655  1.0
  Si  Si27  1  0.25000000  0.82677014  0.79799345  1.0
  Ni  Ni28  1  0.75000000  0.54908155  0.13440931  1.0
  Ni  Ni29  1  0.25000000  0.45091845  0.86559069  1.0
  Ni  Ni30  1  0.75000000  0.04908155  0.36559069  1.0
  Ni  Ni31  1  0.25000000  0.95091845  0.63440931  1.0
  Ni  Ni32  1  0.75000000  0.58987466  0.47275722  1.0
  Ni  Ni33  1  0.25000000  0.41012534  0.52724278  1.0
  Ni  Ni34  1  0.75000000  0.08987466  0.02724278  1.0
  Ni  Ni35  1  0.25000000  0.91012534  0.97275722  1.0