# generated using pymatgen
data_Sc12Si12Tc3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91102774
_cell_length_b   10.45305934
_cell_length_c   11.82960441
_cell_angle_alpha   90.07989930
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Si12Tc3Ru
_chemical_formula_sum   'Sc12 Si12 Tc3 Ru1'
_cell_volume   483.61984316
_cell_formula_units_Z   1
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  0.25000000  0.87653633  0.01801259  1.0
  Sc  Sc1  1  0.25000000  0.62434177  0.51799972  1.0
  Sc  Sc2  1  0.75000000  0.12256199  0.98221138  1.0
  Sc  Sc3  1  0.75000000  0.37713042  0.48362318  1.0
  Sc  Sc4  1  0.25000000  0.92433251  0.60572097  1.0
  Sc  Sc5  1  0.25000000  0.57597073  0.10604004  1.0
  Sc  Sc6  1  0.75000000  0.07577745  0.39317567  1.0
  Sc  Sc7  1  0.75000000  0.42403005  0.89203075  1.0
  Sc  Sc8  1  0.25000000  0.66497129  0.79765995  1.0
  Sc  Sc9  1  0.25000000  0.83633259  0.29795647  1.0
  Sc  Sc10  1  0.75000000  0.33710234  0.20200294  1.0
  Sc  Sc11  1  0.75000000  0.15914727  0.70249742  1.0
  Si  Si12  1  0.25000000  0.01457083  0.82317515  1.0
  Si  Si13  1  0.25000000  0.48036432  0.32293769  1.0
  Si  Si14  1  0.75000000  0.97975864  0.17731581  1.0
  Si  Si15  1  0.75000000  0.52195203  0.67754199  1.0
  Si  Si16  1  0.25000000  0.24979242  0.84493903  1.0
  Si  Si17  1  0.25000000  0.24782493  0.34614270  1.0
  Si  Si18  1  0.75000000  0.74789542  0.15359964  1.0
  Si  Si19  1  0.75000000  0.75433135  0.65619288  1.0
  Si  Si20  1  0.25000000  0.19194146  0.54350435  1.0
  Si  Si21  1  0.25000000  0.30782388  0.04192852  1.0
  Si  Si22  1  0.75000000  0.80876289  0.45776376  1.0
  Si  Si23  1  0.75000000  0.69403101  0.95566194  1.0
  Tc  Tc24  1  0.25000000  0.38748214  0.67848576  1.0
  Tc  Tc25  1  0.25000000  0.11367576  0.17753521  1.0
  Tc  Tc26  1  0.75000000  0.61419934  0.32190020  1.0
  Ru  Ru27  1  0.75000000  0.88735582  0.82244428  1.0