# generated using pymatgen
data_Th2Si5AsPd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68494182
_cell_length_b   8.68494012
_cell_length_c   8.63566039
_cell_angle_alpha   60.18758355
_cell_angle_beta   60.18757123
_cell_angle_gamma   59.62492433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Si5AsPd21
_chemical_formula_sum   'Th2 Si5 As1 Pd21'
_cell_volume   460.56055652
_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  0.75006929  0.75006929  0.74993071  1.0
  Th  Th1  1  0.25006929  0.25006929  0.24993071  1.0
  Si  Si2  1  0.26121191  0.73904605  0.26095395  1.0
  Si  Si3  1  0.73904605  0.26121191  0.26095395  1.0
  Si  Si4  1  0.26167858  0.26167858  0.73832142  1.0
  Si  Si5  1  0.73904605  0.26121191  0.73878809  1.0
  Si  Si6  1  0.26121191  0.73904605  0.73878809  1.0
  As  As7  1  0.73899621  0.73899621  0.26100379  1.0
  Pd  Pd8  1  0.00133938  0.00133938  0.99866062  1.0
  Pd  Pd9  1  0.61234603  0.61234603  0.15446368  1.0
  Pd  Pd10  1  0.61444666  0.15432910  0.61561212  1.0
  Pd  Pd11  1  0.15432810  0.61444666  0.61561212  1.0
  Pd  Pd12  1  0.61234603  0.61234603  0.62084426  1.0
  Pd  Pd13  1  0.38438688  0.38438788  0.84567190  1.0
  Pd  Pd14  1  0.37915674  0.84553532  0.38765397  1.0
  Pd  Pd15  1  0.84553632  0.37915674  0.38765397  1.0
  Pd  Pd16  1  0.38438788  0.38438788  0.38555334  1.0
  Pd  Pd17  1  0.00113720  0.00113720  0.34544790  1.0
  Pd  Pd18  1  0.65187196  0.00622707  0.34812804  1.0
  Pd  Pd19  1  0.00622607  0.65187096  0.34812904  1.0
  Pd  Pd20  1  0.65455210  0.34772229  0.99886280  1.0
  Pd  Pd21  1  0.99920530  0.34562111  0.00079470  1.0
  Pd  Pd22  1  0.99920530  0.34562111  0.65437889  1.0
  Pd  Pd23  1  0.34772229  0.65455210  0.99886280  1.0
  Pd  Pd24  1  0.34562111  0.99920530  0.65437889  1.0
  Pd  Pd25  1  0.34562111  0.99920530  0.00079470  1.0
  Pd  Pd26  1  0.00113720  0.00113720  0.65227771  1.0
  Pd  Pd27  1  0.00622607  0.65187096  0.99377293  1.0
  Pd  Pd28  1  0.65187096  0.00622707  0.99377393  1.0