# generated using pymatgen
data_ZrSc(SiTc)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41115495
_cell_length_b   6.96195597
_cell_length_c   12.08127557
_cell_angle_alpha   90.04768585
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(SiTc)2
_chemical_formula_sum   'Zr3 Sc3 Si6 Tc6'
_cell_volume   286.90978495
_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
  Zr  Zr0  1  0.50000000  0.29905663  0.30052917  1.0
  Zr  Zr1  1  0.50000000  0.30232794  0.69873399  1.0
  Zr  Zr2  1  0.50000000  0.79935175  0.19820002  1.0
  Sc  Sc3  1  0.50000000  0.39552566  0.00076459  1.0
  Sc  Sc4  1  0.50000000  0.89595209  0.49972079  1.0
  Sc  Sc5  1  0.50000000  0.80595699  0.80245790  1.0
  Si  Si6  1  0.00000000  0.99727042  0.66582575  1.0
  Si  Si7  1  0.00000000  0.49776570  0.16454493  1.0
  Si  Si8  1  0.00000000  0.50449494  0.83550535  1.0
  Si  Si9  1  0.00000000  0.99746491  0.33532543  1.0
  Si  Si10  1  0.50000000  0.00146391  0.99839264  1.0
  Si  Si11  1  0.50000000  0.50248078  0.50022073  1.0
  Tc  Tc12  1  0.00000000  0.74525059  0.00017085  1.0
  Tc  Tc13  1  0.00000000  0.24586649  0.50028295  1.0
  Tc  Tc14  1  0.00000000  0.62701375  0.62928047  1.0
  Tc  Tc15  1  0.00000000  0.12552139  0.12865409  1.0
  Tc  Tc16  1  0.00000000  0.13226528  0.87054640  1.0
  Tc  Tc17  1  0.00000000  0.62516878  0.37084496  1.0