# generated using pymatgen
data_Th8Si12Pd3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22719853
_cell_length_b   8.22719739
_cell_length_c   8.53662417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Si12Pd3Ru
_chemical_formula_sum   'Th8 Si12 Pd3 Ru1'
_cell_volume   500.40389907
_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
  Th  Th0  1  0.49645557  0.99291114  0.24523373  1.0
  Th  Th1  1  0.49620394  0.99240888  0.75482180  1.0
  Th  Th2  1  0.00708886  0.50354443  0.24523373  1.0
  Th  Th3  1  0.00759112  0.50379606  0.75482180  1.0
  Th  Th4  1  0.49645557  0.50354443  0.24523373  1.0
  Th  Th5  1  0.49620394  0.50379606  0.75482180  1.0
  Th  Th6  1  0.00000000  0.00000000  0.24986443  1.0
  Th  Th7  1  0.00000000  0.00000000  0.74989041  1.0
  Si  Si8  1  0.16687084  0.33373968  0.00041618  1.0
  Si  Si9  1  0.83482442  0.66964784  0.99948128  1.0
  Si  Si10  1  0.66626032  0.83312916  0.00041618  1.0
  Si  Si11  1  0.83334842  0.66669784  0.49988728  1.0
  Si  Si12  1  0.33035216  0.16517558  0.99948128  1.0
  Si  Si13  1  0.16527714  0.33055328  0.49991977  1.0
  Si  Si14  1  0.16687084  0.83312916  0.00041618  1.0
  Si  Si15  1  0.33330216  0.16665158  0.49988728  1.0
  Si  Si16  1  0.83482442  0.16517558  0.99948128  1.0
  Si  Si17  1  0.66944672  0.83472286  0.49991977  1.0
  Si  Si18  1  0.83334842  0.16665158  0.49988728  1.0
  Si  Si19  1  0.16527714  0.83472286  0.49991977  1.0
  Pd  Pd20  1  0.66666700  0.33333300  0.00042539  1.0
  Pd  Pd21  1  0.66666700  0.33333300  0.50113495  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.49962567  1.0
  Ru  Ru23  1  0.33333300  0.66666700  0.99978100  1.0