# generated using pymatgen
data_Th8Fe(Si4Pd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18257104
_cell_length_b   8.18257232
_cell_length_c   8.54106940
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Fe(Si4Pd)3
_chemical_formula_sum   'Th8 Fe1 Si12 Pd3'
_cell_volume   495.24778558
_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  0.50439533  0.49560467  0.75670148  1.0
  Th  Th1  1  0.50453143  0.49546857  0.24328899  1.0
  Th  Th2  1  0.99120835  0.49560467  0.75670148  1.0
  Th  Th3  1  0.99093815  0.49546857  0.24328899  1.0
  Th  Th4  1  0.50439533  0.00879165  0.75670148  1.0
  Th  Th5  1  0.50453143  0.00906185  0.24328899  1.0
  Th  Th6  1  0.00000000  0.00000000  0.75124269  1.0
  Th  Th7  1  0.00000000  0.00000000  0.24873479  1.0
  Fe  Fe8  1  0.66666700  0.33333300  0.99992160  1.0
  Si  Si9  1  0.82777801  0.17222199  0.99989191  1.0
  Si  Si10  1  0.16441964  0.83558036  0.00006457  1.0
  Si  Si11  1  0.34444497  0.17222199  0.99989191  1.0
  Si  Si12  1  0.16649554  0.83350446  0.49988595  1.0
  Si  Si13  1  0.67115972  0.83558036  0.00006457  1.0
  Si  Si14  1  0.83469655  0.16530345  0.50008745  1.0
  Si  Si15  1  0.82777801  0.65555503  0.99989191  1.0
  Si  Si16  1  0.66700692  0.83350446  0.49988595  1.0
  Si  Si17  1  0.16441964  0.32884028  0.00006457  1.0
  Si  Si18  1  0.33060889  0.16530345  0.50008745  1.0
  Si  Si19  1  0.16649554  0.33299308  0.49988595  1.0
  Si  Si20  1  0.83469655  0.66939111  0.50008745  1.0
  Pd  Pd21  1  0.33333300  0.66666700  0.00029943  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.49971593  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50032355  1.0