# generated using pymatgen
data_Th8Si12Ir3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20140105
_cell_length_b   8.20140217
_cell_length_c   8.55623076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Si12Ir3Pd
_chemical_formula_sum   'Th8 Si12 Ir3 Pd1'
_cell_volume   498.41294819
_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  0.49714830  0.50285170  0.75193386  1.0
  Th  Th1  1  0.49728036  0.50271964  0.24805454  1.0
  Th  Th2  1  0.00570440  0.50285170  0.75193386  1.0
  Th  Th3  1  0.00543828  0.50271964  0.24805454  1.0
  Th  Th4  1  0.49714830  0.99429560  0.75193386  1.0
  Th  Th5  1  0.49728036  0.99456172  0.24805454  1.0
  Th  Th6  1  0.00000000  0.00000000  0.74921022  1.0
  Th  Th7  1  0.00000000  0.00000000  0.25068935  1.0
  Si  Si8  1  0.83314498  0.16685502  0.99976238  1.0
  Si  Si9  1  0.16583733  0.83416267  0.00017979  1.0
  Si  Si10  1  0.33371003  0.16685502  0.99976238  1.0
  Si  Si11  1  0.16644930  0.83355070  0.49992148  1.0
  Si  Si12  1  0.66832634  0.83416267  0.00017979  1.0
  Si  Si13  1  0.83440383  0.16559617  0.49994079  1.0
  Si  Si14  1  0.83314498  0.66628997  0.99976238  1.0
  Si  Si15  1  0.66710340  0.83355070  0.49992148  1.0
  Si  Si16  1  0.16583733  0.33167366  0.00017979  1.0
  Si  Si17  1  0.33119234  0.16559617  0.49994079  1.0
  Si  Si18  1  0.16644930  0.33289660  0.49992148  1.0
  Si  Si19  1  0.83440383  0.66880766  0.49994079  1.0
  Ir  Ir20  1  0.66666700  0.33333300  0.00013697  1.0
  Ir  Ir21  1  0.33333300  0.66666700  0.99997353  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.50006436  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50055105  1.0